4-(6-Aminomethylpyridin-2-yl)-2-(diaminomethyleneamino)thiazole

HCID 10399768

Notes Reactions

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Basic information

CAS: 135450-75-8
Standard SMILES: NCc1cccc(-c2csc(N=C(N)N)n2)n1
InChIKey: NATIZSVGHXNYHL-UHFFFAOYSA-N
Molecular formula: C10H12N6S
Average molar mass: 248.31 g/mol
Monoisotopic mass: 248.08441538

Names & identifiers

Preferred name: 4-(6-Aminomethylpyridin-2-yl)-2-(diaminomethyleneamino)thiazole
IUPAC: 2-[4-[6-(aminomethyl)-2-pyridinyl]-1,3-thiazol-2-yl]guanidine

Names & synonyms

4-(6-aminomethylpyridin-2-yl)-2-(diaminomethyleneamino)thiazole135450-75-8SCHEMBL9298308NATIZSVGHXNYHL-UHFFFAOYSA-NDTXSID601198252Guanidine, [4-[6-(aminomethyl)-2-pyridinyl]-2-thiazolyl]-N-{4-[6-(Aminomethyl)pyridin-2-yl]-1,3-thiazol-2-yl}guanidine

Database identifiers

CAS: 135450-75-8
PubChem CID: 10399768
DTXSID: DTXSID601198252

Properties

Computed structural properties

XLogP: -0.7
Topological polar surface area: 144 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 280

Related reactions

19 records

New reaction record

HRID 152615As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 170506As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 206226As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 282562As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 294423As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1143013As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1491840As productuspto-grants-1994_12

HRID 1491841As reactantuspto-grants-1994_12

Compound notes

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