5-amino-N-(6-chloro-3-pyridinyl)-1,3-thiazole-2-carboxamide

C9H7ClN4OS — CID 89311605

IUPAC5-amino-N-(6-chloro-3-pyridinyl)-1,3-thiazole-2-carboxamide
SMILESNc1cnc(C(=O)Nc2ccc(Cl)nc2)s1
InChIInChI=1S/C9H7ClN4OS/c10-6-2-1-5(3-12-6)14-8(15)9-13-4-7(11)16-9/h1-4H,11H2,(H,14,15)
InChIKeyQKOOSJZTWDSBQI-UHFFFAOYSA-N
MW254.70 g/mol
LogP2.03
Rot. Bonds2

About 5-amino-N-(6-chloro-3-pyridinyl)-1,3-thiazole-2-carboxamide

5-amino-N-(6-chloro-3-pyridinyl)-1,3-thiazole-2-carboxamide (PubChem CID 89311605) has the molecular formula C9H7ClN4OS and a molecular weight of 254.70 g/mol. Its IUPAC name is 5-amino-N-(6-chloro-3-pyridinyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(6-chloro-3-pyridinyl)-1,3-thiazole-2-carboxamide
PubChem CID89311605
Molecular FormulaC9H7ClN4OS
Molecular Weight254.70 g/mol
Exact Mass254.00
IUPAC Name5-amino-N-(6-chloro-3-pyridinyl)-1,3-thiazole-2-carboxamide
SMILESNc1cnc(C(=O)Nc2ccc(Cl)nc2)s1
InChIInChI=1S/C9H7ClN4OS/c10-6-2-1-5(3-12-6)14-8(15)9-13-4-7(11)16-9/h1-4H,11H2,(H,14,15)
InChIKeyQKOOSJZTWDSBQI-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'}

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Related Compounds

N-(6-chloro-3-pyridinyl)-4-hydroxybenzamide
CID 103875090
2,6-dichloro-N-(6-chloro-3-pyridinyl)benzamide
CID 113247998
6-chloro-N-(6-chloro-3-pyridinyl)pyrazine-2-carboxamide
CID 103186985
N-(6-chloro-3-pyridinyl)-4-(trifluoromethyl)benzamide
CID 3719290
2-amino-N-(6-chloro-3-pyridinyl)-4-hydroxybenzamide
CID 150110924
3,6-dichloro-N-(6-chloro-3-pyridinyl)pyridine-2-carboxamide
CID 78929855
3-[(6-chloro-3-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid
CID 39353282
2-amino-N-(6-chloro-3-pyridinyl)-4,5-dimethoxybenzamide
CID 115279862
N-(6-chloro-3-pyridinyl)-6-oxo-1H-pyridine-3-carboxamide
CID 78929856
N-(6-bromo-3-pyridinyl)-6-chloropyridine-3-carboxamide
CID 103789282
N-(6-chloro-3-pyridinyl)furan-2-carboxamide
CID 54787856
6-bromo-N-(6-chloro-3-pyridinyl)pyridine-3-carboxamide
CID 79420958

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(6-chloro-3-pyridinyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-amino-N-(6-chloro-3-pyridinyl)-1,3-thiazole-2-carboxamide (CID 89311605) is 5-amino-N-(6-chloro-3-pyridinyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-amino-N-(6-chloro-3-pyridinyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-amino-N-(6-chloro-3-pyridinyl)-1,3-thiazole-2-carboxamide is Nc1cnc(C(=O)Nc2ccc(Cl)nc2)s1.
What is the InChIKey of 5-amino-N-(6-chloro-3-pyridinyl)-1,3-thiazole-2-carboxamide?
The InChIKey is QKOOSJZTWDSBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4OS/c10-6-2-1-5(3-12-6)14-8(15)9-13-4-7(11)16-9/h1-4H,11H2,(H,14,15).
What are the key properties of 5-amino-N-(6-chloro-3-pyridinyl)-1,3-thiazole-2-carboxamide?
5-amino-N-(6-chloro-3-pyridinyl)-1,3-thiazole-2-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 5-amino-N-(6-chloro-3-pyridinyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 89311605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).