2-chloro-N-[6-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrimidin-4-yl]acetamide

C13H9ClN4OS2 — CID 59840919

IUPAC2-chloro-N-[6-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrimidin-4-yl]acetamide
SMILESO=C(CCl)Nc1cc(-c2nccs2)nc(-c2cccs2)n1
InChIInChI=1S/C13H9ClN4OS2/c14-7-11(19)17-10-6-8(13-15-3-5-21-13)16-12(18-10)9-2-1-4-20-9/h1-6H,7H2,(H,16,17,18,19)
InChIKeyCYTAYKCFHUVICQ-UHFFFAOYSA-N
MW336.83 g/mol
LogP3.51
Rot. Bonds4

About 2-chloro-N-[6-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrimidin-4-yl]acetamide

2-chloro-N-[6-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrimidin-4-yl]acetamide (PubChem CID 59840919) has the molecular formula C13H9ClN4OS2 and a molecular weight of 336.83 g/mol. Its IUPAC name is 2-chloro-N-[6-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrimidin-4-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[6-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrimidin-4-yl]acetamide
PubChem CID59840919
Molecular FormulaC13H9ClN4OS2
Molecular Weight336.83 g/mol
Exact Mass335.99
IUPAC Name2-chloro-N-[6-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrimidin-4-yl]acetamide
SMILESO=C(CCl)Nc1cc(-c2nccs2)nc(-c2cccs2)n1
InChIInChI=1S/C13H9ClN4OS2/c14-7-11(19)17-10-6-8(13-15-3-5-21-13)16-12(18-10)9-2-1-4-20-9/h1-6H,7H2,(H,16,17,18,19)
InChIKeyCYTAYKCFHUVICQ-UHFFFAOYSA-N
XLogP3.51
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.83
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
CID 24822437
2-(1,4-diazepan-1-yl)-N-[6-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrimidin-4-yl]acetamide
CID 67052075
2-pyridin-3-yl-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
CID 69282501
N-[2-(furan-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 24768400
2-chloro-N-thiophen-2-ylacetamide
CID 21274756
N-(4,6-dithiophen-2-ylpyrimidin-2-yl)propanamide
CID 50940930
N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-3-pyridin-3-ylpropanamide
CID 59683069
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
CID 57428369
2-(1-piperidin-4-ylpiperidin-1-ium-1-yl)-N-(6-pyridin-2-yl-2-thiophen-2-ylpyrimidin-4-yl)acetamide
CID 87250418
2-(3,4-dimethylphenyl)-N-[6-(furan-2-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
CID 59683056
2-chloro-N-[1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide
CID 136605422
2-(4-hydroxypiperidin-1-yl)-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
CID 11956881

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[6-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrimidin-4-yl]acetamide?
The IUPAC name of 2-chloro-N-[6-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrimidin-4-yl]acetamide (CID 59840919) is 2-chloro-N-[6-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrimidin-4-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[6-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrimidin-4-yl]acetamide?
The canonical SMILES for 2-chloro-N-[6-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrimidin-4-yl]acetamide is O=C(CCl)Nc1cc(-c2nccs2)nc(-c2cccs2)n1.
What is the InChIKey of 2-chloro-N-[6-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrimidin-4-yl]acetamide?
The InChIKey is CYTAYKCFHUVICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4OS2/c14-7-11(19)17-10-6-8(13-15-3-5-21-13)16-12(18-10)9-2-1-4-20-9/h1-6H,7H2,(H,16,17,18,19).
What are the key properties of 2-chloro-N-[6-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrimidin-4-yl]acetamide?
2-chloro-N-[6-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrimidin-4-yl]acetamide has a molecular weight of 336.83 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[6-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrimidin-4-yl]acetamide is sourced from PubChem (CID 59840919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).