(2-amino-5-chloro-3-pyridinyl)-[2-(aminomethyl)-1,3-thiazol-4-yl]methanone

C10H9ClN4OS — CID 116585198

IUPAC(2-amino-5-chloro-3-pyridinyl)-[2-(aminomethyl)-1,3-thiazol-4-yl]methanone
SMILESNCc1nc(C(=O)c2cc(Cl)cnc2N)cs1
InChIInChI=1S/C10H9ClN4OS/c11-5-1-6(10(13)14-3-5)9(16)7-4-17-8(2-12)15-7/h1,3-4H,2,12H2,(H2,13,14)
InChIKeyKYZLLZWUQJFXOA-UHFFFAOYSA-N
MW268.73 g/mol
LogP1.46
Rot. Bonds3

About (2-amino-5-chloro-3-pyridinyl)-[2-(aminomethyl)-1,3-thiazol-4-yl]methanone

(2-amino-5-chloro-3-pyridinyl)-[2-(aminomethyl)-1,3-thiazol-4-yl]methanone (PubChem CID 116585198) has the molecular formula C10H9ClN4OS and a molecular weight of 268.73 g/mol. Its IUPAC name is (2-amino-5-chloro-3-pyridinyl)-[2-(aminomethyl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name(2-amino-5-chloro-3-pyridinyl)-[2-(aminomethyl)-1,3-thiazol-4-yl]methanone
PubChem CID116585198
Molecular FormulaC10H9ClN4OS
Molecular Weight268.73 g/mol
Exact Mass268.02
IUPAC Name(2-amino-5-chloro-3-pyridinyl)-[2-(aminomethyl)-1,3-thiazol-4-yl]methanone
SMILESNCc1nc(C(=O)c2cc(Cl)cnc2N)cs1
InChIInChI=1S/C10H9ClN4OS/c11-5-1-6(10(13)14-3-5)9(16)7-4-17-8(2-12)15-7/h1,3-4H,2,12H2,(H2,13,14)
InChIKeyKYZLLZWUQJFXOA-UHFFFAOYSA-N
XLogP1.46
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.73
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2-amino-5-chloro-3-pyridinyl)-[2-(2-aminoethyl)-1,3-thiazol-4-yl]methanone
CID 116585485
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2,5-dichlorophenyl)methanone
CID 116585193
[2-(aminomethyl)-1,3-thiazol-4-yl]-(1,3-thiazol-4-yl)methanone
CID 131110938
[2-(aminomethyl)-1,3-thiazol-4-yl]-(3,5-dimethylphenyl)methanone
CID 116585062
(2-amino-5-chloro-3-pyridinyl)-(1-methylpyrazol-3-yl)methanone
CID 65195804
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methoxy-5-methylphenyl)methanone
CID 116585293
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2,3-dimethylphenyl)methanone
CID 116585152
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2,3-difluoro-4-methylphenyl)methanone
CID 107514931
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-fluoro-3-methylphenyl)methanone
CID 116585268
[2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 116585116
1-[2-(aminomethyl)-1,3-thiazol-4-yl]prop-2-en-1-one
CID 116585165
2-(aminomethyl)-N-(4-bromo-2,6-dichlorophenyl)-1,3-thiazole-4-carboxamide
CID 66377996

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-chloro-3-pyridinyl)-[2-(aminomethyl)-1,3-thiazol-4-yl]methanone?
The IUPAC name of (2-amino-5-chloro-3-pyridinyl)-[2-(aminomethyl)-1,3-thiazol-4-yl]methanone (CID 116585198) is (2-amino-5-chloro-3-pyridinyl)-[2-(aminomethyl)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for (2-amino-5-chloro-3-pyridinyl)-[2-(aminomethyl)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for (2-amino-5-chloro-3-pyridinyl)-[2-(aminomethyl)-1,3-thiazol-4-yl]methanone is NCc1nc(C(=O)c2cc(Cl)cnc2N)cs1.
What is the InChIKey of (2-amino-5-chloro-3-pyridinyl)-[2-(aminomethyl)-1,3-thiazol-4-yl]methanone?
The InChIKey is KYZLLZWUQJFXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4OS/c11-5-1-6(10(13)14-3-5)9(16)7-4-17-8(2-12)15-7/h1,3-4H,2,12H2,(H2,13,14).
What are the key properties of (2-amino-5-chloro-3-pyridinyl)-[2-(aminomethyl)-1,3-thiazol-4-yl]methanone?
(2-amino-5-chloro-3-pyridinyl)-[2-(aminomethyl)-1,3-thiazol-4-yl]methanone has a molecular weight of 268.73 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-chloro-3-pyridinyl)-[2-(aminomethyl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 116585198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).