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

C9H7ClN4OS — CID 62789087

IUPAC2-amino-N-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)Nc2cccnc2Cl)cs1
InChIInChI=1S/C9H7ClN4OS/c10-7-5(2-1-3-12-7)13-8(15)6-4-16-9(11)14-6/h1-4H,(H2,11,14)(H,13,15)
InChIKeyMPXGJCSFDAGNCA-UHFFFAOYSA-N
MW254.70 g/mol
LogP2.03
Rot. Bonds2

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

2-amino-N-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 62789087) has the molecular formula C9H7ClN4OS and a molecular weight of 254.70 g/mol. Its IUPAC name is 2-amino-N-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID62789087
Molecular FormulaC9H7ClN4OS
Molecular Weight254.70 g/mol
Exact Mass254.00
IUPAC Name2-amino-N-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)Nc2cccnc2Cl)cs1
InChIInChI=1S/C9H7ClN4OS/c10-7-5(2-1-3-12-7)13-8(15)6-4-16-9(11)14-6/h1-4H,(H2,11,14)(H,13,15)
InChIKeyMPXGJCSFDAGNCA-UHFFFAOYSA-N
XLogP2.03
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.70
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-N-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(aminomethyl)-N-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 66377243
2-amino-N-quinolin-5-yl-1,3-thiazole-4-carboxamide
CID 55115964
2-amino-N-(3-chloro-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 103094302
N-(2-chloro-3-pyridinyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90506088
2-amino-N-pyridazin-3-yl-1,3-thiazole-4-carboxamide
CID 116786705
2-amino-N-(4-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 62788574
2-amino-N-(5-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 55116247
2-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-1,3-thiazole-4-carboxamide
CID 62787171
2-amino-N-[2-(trifluoromethylsulfanyl)phenyl]-1,3-thiazole-4-carboxamide
CID 62788906
2-amino-N-[2-methyl-3-(propanoylamino)phenyl]-1,3-thiazole-4-carboxamide
CID 62788927
2-amino-N-(2-chloro-3-pyridinyl)-4-methylbenzamide
CID 14209972
2-chloro-N-(2-chloro-3-pyridinyl)benzamide
CID 4245221

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxamide (CID 62789087) is 2-amino-N-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxamide is Nc1nc(C(=O)Nc2cccnc2Cl)cs1.
What is the InChIKey of 2-amino-N-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is MPXGJCSFDAGNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4OS/c10-7-5(2-1-3-12-7)13-8(15)6-4-16-9(11)14-6/h1-4H,(H2,11,14)(H,13,15).
What are the key properties of 2-amino-N-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxamide?
2-amino-N-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 254.70 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62789087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).