2-(2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-4-ylamino)-1,3-thiazole-5-carbonitrile
Basic information
- CAS
494767-20-3- Standard SMILES
N#Cc1cnc(Nc2nccc3c2CCN3)s1- InChIKey
VXZVPODMVVOSMF-UHFFFAOYSA-N- Molecular formula
- C11H9N5S
- Average molar mass
- 243.29 g/mol
- Monoisotopic mass
- 243.05786648
Names & identifiers
- Preferred name
- 2-(2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-4-ylamino)-1,3-thiazole-5-carbonitrile
- IUPAC
- 2-(2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-4-ylamino)-1,3-thiazole-5-carbonitrile
Names & synonyms
SCHEMBL6704395VXZVPODMVVOSMF-UHFFFAOYSA-NDTXSID6011438452-(2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-4-ylamino)-1,3-thiazole-5-carbonitrile494767-20-32-[(2,3-Dihydro-1H-pyrrolo[3,2-c]pyridin-4-yl)amino]-1,3-thiazole-5-carbonitrile2-[(2,3-Dihydro-1H-pyrrolo[3,2-c]pyridin-4-yl)amino]-5-thiazolecarbonitrile
Database identifiers
- CAS
494767-20-3- PubChem CID
- 9834697
- DTXSID
DTXSID601143845
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 327
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Compound notes
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