2-(aminomethyl)-N-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxamide

C10H9ClN4OS — CID 66377243

IUPAC2-(aminomethyl)-N-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESNCc1nc(C(=O)Nc2cccnc2Cl)cs1
InChIInChI=1S/C10H9ClN4OS/c11-9-6(2-1-3-13-9)15-10(16)7-5-17-8(4-12)14-7/h1-3,5H,4,12H2,(H,15,16)
InChIKeyBSICECBSQJCQOJ-UHFFFAOYSA-N
MW268.73 g/mol
LogP1.90
Rot. Bonds3

About 2-(aminomethyl)-N-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 66377243) has the molecular formula C10H9ClN4OS and a molecular weight of 268.73 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID66377243
Molecular FormulaC10H9ClN4OS
Molecular Weight268.73 g/mol
Exact Mass268.02
IUPAC Name2-(aminomethyl)-N-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESNCc1nc(C(=O)Nc2cccnc2Cl)cs1
InChIInChI=1S/C10H9ClN4OS/c11-9-6(2-1-3-13-9)15-10(16)7-5-17-8(4-12)14-7/h1-3,5H,4,12H2,(H,15,16)
InChIKeyBSICECBSQJCQOJ-UHFFFAOYSA-N
XLogP1.90
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.73
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(aminomethyl)-N-(2-methoxy-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 66375890
2-amino-N-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 62789087
2-(aminomethyl)-N-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxamide
CID 66375672
2-(aminomethyl)-N-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 66377402
N-(2-chloro-3-pyridinyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90506088
2-(aminomethyl)-N-(2-cyanophenyl)-1,3-thiazole-4-carboxamide
CID 66375860
2-(aminomethyl)-N-(3-bromo-2-hydroxyphenyl)-1,3-thiazole-4-carboxamide
CID 81494297
2-(aminomethyl)-N-quinolin-6-yl-1,3-thiazole-4-carboxamide
CID 66378461
2-(aminomethyl)-N-(2-methylsulfonylphenyl)-1,3-thiazole-4-carboxamide
CID 66376858
2-(aminomethyl)-N-(2-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 66378018
2-(aminomethyl)-N-(2-chloro-5-iodophenyl)-1,3-thiazole-4-carboxamide
CID 114259758
2-(aminomethyl)-N-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 66378569

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxamide (CID 66377243) is 2-(aminomethyl)-N-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxamide is NCc1nc(C(=O)Nc2cccnc2Cl)cs1.
What is the InChIKey of 2-(aminomethyl)-N-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is BSICECBSQJCQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4OS/c11-9-6(2-1-3-13-9)15-10(16)7-5-17-8(4-12)14-7/h1-3,5H,4,12H2,(H,15,16).
What are the key properties of 2-(aminomethyl)-N-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 268.73 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66377243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).