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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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).