N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylacetamide

C12H11ClN2OS — CID 650025

IUPACN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C12H11ClN2OS/c1-8(16)15(2)12-14-11(7-17-12)9-3-5-10(13)6-4-9/h3-7H,1-2H3
InChIKeyXNYKHRBOYYMACE-UHFFFAOYSA-N
MW266.75 g/mol
LogP3.45
Rot. Bonds2

About N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylacetamide

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylacetamide (PubChem CID 650025) has the molecular formula C12H11ClN2OS and a molecular weight of 266.75 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylacetamide
PubChem CID650025
Molecular FormulaC12H11ClN2OS
Molecular Weight266.75 g/mol
Exact Mass266.03
IUPAC NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C12H11ClN2OS/c1-8(16)15(2)12-14-11(7-17-12)9-3-5-10(13)6-4-9/h3-7H,1-2H3
InChIKeyXNYKHRBOYYMACE-UHFFFAOYSA-N
XLogP3.45
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylacetamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylacetamide (CID 650025) is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylacetamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylacetamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylacetamide is CC(=O)N(C)c1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylacetamide?
The InChIKey is XNYKHRBOYYMACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2OS/c1-8(16)15(2)12-14-11(7-17-12)9-3-5-10(13)6-4-9/h3-7H,1-2H3.
What are the key properties of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylacetamide?
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylacetamide has a molecular weight of 266.75 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylacetamide is sourced from PubChem (CID 650025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).