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

C9H6ClN3OS — CID 103739832

IUPACN-(6-chloro-2-pyridinyl)-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1cccc(Cl)n1)c1cncs1
InChIInChI=1S/C9H6ClN3OS/c10-7-2-1-3-8(12-7)13-9(14)6-4-11-5-15-6/h1-5H,(H,12,13,14)
InChIKeyBYTDHCBMZRACLF-UHFFFAOYSA-N
MW239.69 g/mol
LogP2.44
Rot. Bonds2

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

N-(6-chloro-2-pyridinyl)-1,3-thiazole-5-carboxamide (PubChem CID 103739832) has the molecular formula C9H6ClN3OS and a molecular weight of 239.69 g/mol. Its IUPAC name is N-(6-chloro-2-pyridinyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-2-pyridinyl)-1,3-thiazole-5-carboxamide
PubChem CID103739832
Molecular FormulaC9H6ClN3OS
Molecular Weight239.69 g/mol
Exact Mass238.99
IUPAC NameN-(6-chloro-2-pyridinyl)-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1cccc(Cl)n1)c1cncs1
InChIInChI=1S/C9H6ClN3OS/c10-7-2-1-3-8(12-7)13-9(14)6-4-11-5-15-6/h1-5H,(H,12,13,14)
InChIKeyBYTDHCBMZRACLF-UHFFFAOYSA-N
XLogP2.44
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.69
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-pyridinyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(6-chloro-2-pyridinyl)-1,3-thiazole-5-carboxamide (CID 103739832) is N-(6-chloro-2-pyridinyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(6-chloro-2-pyridinyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(6-chloro-2-pyridinyl)-1,3-thiazole-5-carboxamide is O=C(Nc1cccc(Cl)n1)c1cncs1.
What is the InChIKey of N-(6-chloro-2-pyridinyl)-1,3-thiazole-5-carboxamide?
The InChIKey is BYTDHCBMZRACLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN3OS/c10-7-2-1-3-8(12-7)13-9(14)6-4-11-5-15-6/h1-5H,(H,12,13,14).
What are the key properties of N-(6-chloro-2-pyridinyl)-1,3-thiazole-5-carboxamide?
N-(6-chloro-2-pyridinyl)-1,3-thiazole-5-carboxamide has a molecular weight of 239.69 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-pyridinyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 103739832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).