N-[5-[(E)-(2-chloropyrimidin-4-yl)methylideneamino]-1,3-thiazol-2-yl]acetamide

C10H8ClN5OS — CID 143757530

IUPACN-[5-[(E)-(2-chloropyrimidin-4-yl)methylideneamino]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(/N=C/c2ccnc(Cl)n2)s1
InChIInChI=1S/C10H8ClN5OS/c1-6(17)15-10-14-5-8(18-10)13-4-7-2-3-12-9(11)16-7/h2-5H,1H3,(H,14,15,17)/b13-4+
InChIKeyKSGSEQWBGXDXQQ-YIXHJXPBSA-N
MW281.73 g/mol
LogP2.30
Rot. Bonds3

About N-[5-[(E)-(2-chloropyrimidin-4-yl)methylideneamino]-1,3-thiazol-2-yl]acetamide

N-[5-[(E)-(2-chloropyrimidin-4-yl)methylideneamino]-1,3-thiazol-2-yl]acetamide (PubChem CID 143757530) has the molecular formula C10H8ClN5OS and a molecular weight of 281.73 g/mol. Its IUPAC name is N-[5-[(E)-(2-chloropyrimidin-4-yl)methylideneamino]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(E)-(2-chloropyrimidin-4-yl)methylideneamino]-1,3-thiazol-2-yl]acetamide
PubChem CID143757530
Molecular FormulaC10H8ClN5OS
Molecular Weight281.73 g/mol
Exact Mass281.01
IUPAC NameN-[5-[(E)-(2-chloropyrimidin-4-yl)methylideneamino]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(/N=C/c2ccnc(Cl)n2)s1
InChIInChI=1S/C10H8ClN5OS/c1-6(17)15-10-14-5-8(18-10)13-4-7-2-3-12-9(11)16-7/h2-5H,1H3,(H,14,15,17)/b13-4+
InChIKeyKSGSEQWBGXDXQQ-YIXHJXPBSA-N
XLogP2.30
TPSA80.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.73
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(4,6-Dimethyl-pyrimidin-2-ylsulfanyl)-N-thiazol-2-yl-acetamide
CID 691775
2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)butanamide
CID 16487936
1,2-Ethanediamine, N,N-dimethyl-N'-(4-(2-thiazolyl)-2-pyrimidinyl)-
CID 452515
2-{[4-Methyl-6-(trifluoromethyl)pyrimidin-2-YL]sulfanyl}-N-(1,3-thiazol-2-YL)acetamide
CID 1255929
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 47110332
2-(4,6-Dimethyl-pyrimidin-2-ylsulfanyl)-N-(5-nitro-thiazol-2-yl)-acetamide
CID 592835
1-(3-((4-Methylpyrimidin-2-yl)thio)propyl)-3-(thiazol-2-yl)urea
CID 18584298
3-((4,6-dimethylpyrimidin-2-yl)amino)-N-(thiazol-2-yl)propanamide
CID 71702074
2-((4,6-dimethylpyrimidin-2-yl)amino)-N-(5-methylthiazol-2-yl)acetamide
CID 71710289
4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-ylthio]-N-(1,3-thiazol-2-yl)butanam ide
CID 16443274
N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 18158544
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 103703881

Frequently Asked Questions

What is the IUPAC name of N-[5-[(E)-(2-chloropyrimidin-4-yl)methylideneamino]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[(E)-(2-chloropyrimidin-4-yl)methylideneamino]-1,3-thiazol-2-yl]acetamide (CID 143757530) is N-[5-[(E)-(2-chloropyrimidin-4-yl)methylideneamino]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[(E)-(2-chloropyrimidin-4-yl)methylideneamino]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[(E)-(2-chloropyrimidin-4-yl)methylideneamino]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(/N=C/c2ccnc(Cl)n2)s1.
What is the InChIKey of N-[5-[(E)-(2-chloropyrimidin-4-yl)methylideneamino]-1,3-thiazol-2-yl]acetamide?
The InChIKey is KSGSEQWBGXDXQQ-YIXHJXPBSA-N. The full InChI is InChI=1S/C10H8ClN5OS/c1-6(17)15-10-14-5-8(18-10)13-4-7-2-3-12-9(11)16-7/h2-5H,1H3,(H,14,15,17)/b13-4+.
What are the key properties of N-[5-[(E)-(2-chloropyrimidin-4-yl)methylideneamino]-1,3-thiazol-2-yl]acetamide?
N-[5-[(E)-(2-chloropyrimidin-4-yl)methylideneamino]-1,3-thiazol-2-yl]acetamide has a molecular weight of 281.73 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(E)-(2-chloropyrimidin-4-yl)methylideneamino]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 143757530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).