N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-chloropyridine-3-carboxamide

C12H10ClN3O2S — CID 903642

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-chloropyridine-3-carboxamide
SMILESCC(=O)c1sc(NC(=O)c2cccnc2Cl)nc1C
InChIInChI=1S/C12H10ClN3O2S/c1-6-9(7(2)17)19-12(15-6)16-11(18)8-4-3-5-14-10(8)13/h3-5H,1-2H3,(H,15,16,18)
InChIKeyYUQXORIUVSFWNI-UHFFFAOYSA-N
MW295.75 g/mol
LogP2.95
Rot. Bonds3

About N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-chloropyridine-3-carboxamide

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-chloropyridine-3-carboxamide (PubChem CID 903642) has the molecular formula C12H10ClN3O2S and a molecular weight of 295.75 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-chloropyridine-3-carboxamide
PubChem CID903642
Molecular FormulaC12H10ClN3O2S
Molecular Weight295.75 g/mol
Exact Mass295.02
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-chloropyridine-3-carboxamide
SMILESCC(=O)c1sc(NC(=O)c2cccnc2Cl)nc1C
InChIInChI=1S/C12H10ClN3O2S/c1-6-9(7(2)17)19-12(15-6)16-11(18)8-4-3-5-14-10(8)13/h3-5H,1-2H3,(H,15,16,18)
InChIKeyYUQXORIUVSFWNI-UHFFFAOYSA-N
XLogP2.95
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-chloropyridine-3-carboxamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-chloropyridine-3-carboxamide (CID 903642) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-chloropyridine-3-carboxamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-chloropyridine-3-carboxamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-chloropyridine-3-carboxamide is CC(=O)c1sc(NC(=O)c2cccnc2Cl)nc1C.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-chloropyridine-3-carboxamide?
The InChIKey is YUQXORIUVSFWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2S/c1-6-9(7(2)17)19-12(15-6)16-11(18)8-4-3-5-14-10(8)13/h3-5H,1-2H3,(H,15,16,18).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-chloropyridine-3-carboxamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-chloropyridine-3-carboxamide has a molecular weight of 295.75 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-chloropyridine-3-carboxamide is sourced from PubChem (CID 903642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).