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

C9H7ClN4OS — CID 103094302

IUPAC2-amino-N-(3-chloro-2-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)Nc2ncccc2Cl)cs1
InChIInChI=1S/C9H7ClN4OS/c10-5-2-1-3-12-7(5)14-8(15)6-4-16-9(11)13-6/h1-4H,(H2,11,13)(H,12,14,15)
InChIKeyYXTQDUQCTSQZAF-UHFFFAOYSA-N
MW254.70 g/mol
LogP2.03
Rot. Bonds2

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

2-amino-N-(3-chloro-2-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 103094302) has the molecular formula C9H7ClN4OS and a molecular weight of 254.70 g/mol. Its IUPAC name is 2-amino-N-(3-chloro-2-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-chloro-2-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID103094302
Molecular FormulaC9H7ClN4OS
Molecular Weight254.70 g/mol
Exact Mass254.00
IUPAC Name2-amino-N-(3-chloro-2-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)Nc2ncccc2Cl)cs1
InChIInChI=1S/C9H7ClN4OS/c10-5-2-1-3-12-7(5)14-8(15)6-4-16-9(11)13-6/h1-4H,(H2,11,13)(H,12,14,15)
InChIKeyYXTQDUQCTSQZAF-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

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Related Compounds

2-amino-N-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 62789087
3-amino-N-(3-chloro-2-pyridinyl)thiophene-2-carboxamide
CID 103093844
2-amino-N-quinolin-5-yl-1,3-thiazole-4-carboxamide
CID 55115964
3-amino-N-(3-chloro-2-pyridinyl)pyridine-2-carboxamide
CID 103094260
2-amino-N-pyridazin-3-yl-1,3-thiazole-4-carboxamide
CID 116786705
2-chloro-N-(3-chloro-2-pyridinyl)pyridine-3-carboxamide
CID 103892911
N-(3-chloro-2-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 103892877
5-chloro-N-(3-chloro-2-pyridinyl)-1,3,4-thiadiazole-2-carboxamide
CID 103094101
2-amino-N-(4-bromo-2,6-dichlorophenyl)-1,3-thiazole-4-carboxamide
CID 55116387
2-amino-N-(4-chloro-3-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 62787524
2-amino-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 62788368
N-(3-hydroxy-2-pyridinyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 18109513

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-chloro-2-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-(3-chloro-2-pyridinyl)-1,3-thiazole-4-carboxamide (CID 103094302) is 2-amino-N-(3-chloro-2-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-(3-chloro-2-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-(3-chloro-2-pyridinyl)-1,3-thiazole-4-carboxamide is Nc1nc(C(=O)Nc2ncccc2Cl)cs1.
What is the InChIKey of 2-amino-N-(3-chloro-2-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is YXTQDUQCTSQZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4OS/c10-5-2-1-3-12-7(5)14-8(15)6-4-16-9(11)13-6/h1-4H,(H2,11,13)(H,12,14,15).
What are the key properties of 2-amino-N-(3-chloro-2-pyridinyl)-1,3-thiazole-4-carboxamide?
2-amino-N-(3-chloro-2-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-(3-chloro-2-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 103094302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).