N-(3-benzoylphenyl)-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide

HCID 65927
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Basic information

CAS
116289-53-3
Standard SMILES
O=C(c1ccccc1)c1cccc(NC(=O)c2ccn3c2CSC3c2cccnc2)c1
InChIKey
PQQFNXGONTVQLM-UHFFFAOYSA-N
Molecular formula
C25H19N3O2S
Average molar mass
425.5 g/mol
Monoisotopic mass
425.11979803

Names & identifiers

Preferred name
N-(3-benzoylphenyl)-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide
IUPAC
N-(3-benzoylphenyl)-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide
English name
Tulopafant
Molecular formula
C25H19N3O2S
Molecular weight
425.51

Names & synonyms

CHEMBL64449N-(3-benzoylphenyl)-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamideOprea1_615499orb1706505SCHEMBL9120809DTXSID70869601(+)-N-(3-Benzoylphenyl)-3-(pyridin-3-yl)-1H,3H-pyrrolo[1,2-c]thiazole-7-carboxamideN-(3-benzoylphenyl)-3-(3-pyridyl)-1H,3H-pyrrolo(1,2-c)-thiazolo-7-carboxamidePQQFNXGONTVQLM-UHFFFAOYSA-NREA28953BDBM50038766PDSP1_000729
Show more names
Tulopafant1H,3H-Pyrrolo[1,2-c]thiazole-7-carboxamide, N-(3-benzoylphenyl)-3-(3-pyridinyl)-, (+)-
PDSP2_000719AKOS040742787CS-6662N-(3-benzoylphenyl)-3-(pyridin-3-yl)-1H,3H-pyrrolo[1,2-c][1,3]thiazole-7-carboxamideN-(3-benzoylphenyl)-3-(pyridin-3-yl)-1H,3H-pyrrolo[1,2-c]thiazole-7-carboxamide59227-RPDA-78701RP 59228

Database identifiers

CAS
116289-53-3
PubChem CID
65927
DTXSID
DTXSID70869601
ChEMBL
CHEMBL64449
Nikkaji
J561.836C

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
89.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
31

Physicochemical properties

Boiling point
613.3 · 613.3±55.0 °C(Predicted)
Density
1.32 · 1.32±0.1 g/cm3(Predicted)
storage temp.
-20 °C · Store at -20°C
solubility
Soluble in DMSO
pka
13.51 · 13.51±0.70(Predicted)
FDA UNII
3 Q8N1287 · IQ3Q8N1287

Chemistry & industry

Applications

UsesTulopafant is a platelet activating factor (PAF) antagonist.

Suppliers4 total

上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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