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

C11H9ClN2OS — CID 2468349

IUPACN-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2cccc(Cl)c2)cs1
InChIInChI=1S/C11H9ClN2OS/c1-7(15)13-11-14-10(6-16-11)8-3-2-4-9(12)5-8/h2-6H,1H3,(H,13,14,15)
InChIKeyKZZSOJLRLIMWLV-UHFFFAOYSA-N
MW252.73 g/mol
LogP3.42
Rot. Bonds2

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

N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 2468349) has the molecular formula C11H9ClN2OS and a molecular weight of 252.73 g/mol. Its IUPAC name is N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID2468349
Molecular FormulaC11H9ClN2OS
Molecular Weight252.73 g/mol
Exact Mass252.01
IUPAC NameN-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2cccc(Cl)c2)cs1
InChIInChI=1S/C11H9ClN2OS/c1-7(15)13-11-14-10(6-16-11)8-3-2-4-9(12)5-8/h2-6H,1H3,(H,13,14,15)
InChIKeyKZZSOJLRLIMWLV-UHFFFAOYSA-N
XLogP3.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.73
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]acetamide (CID 2468349) is N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(-c2cccc(Cl)c2)cs1.
What is the InChIKey of N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is KZZSOJLRLIMWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2OS/c1-7(15)13-11-14-10(6-16-11)8-3-2-4-9(12)5-8/h2-6H,1H3,(H,13,14,15).
What are the key properties of N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]acetamide?
N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 252.73 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 2468349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).