N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide

C12H11ClN2OS — CID 726201

IUPACN-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(Cc2cccc(Cl)c2)s1
InChIInChI=1S/C12H11ClN2OS/c1-8(16)15-12-14-7-11(17-12)6-9-3-2-4-10(13)5-9/h2-5,7H,6H2,1H3,(H,14,15,16)
InChIKeyBWLFBCWJSZVMHT-UHFFFAOYSA-N
MW266.75 g/mol
LogP3.35
Rot. Bonds3

About N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 726201) has the molecular formula C12H11ClN2OS and a molecular weight of 266.75 g/mol. Its IUPAC name is N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID726201
Molecular FormulaC12H11ClN2OS
Molecular Weight266.75 g/mol
Exact Mass266.03
IUPAC NameN-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(Cc2cccc(Cl)c2)s1
InChIInChI=1S/C12H11ClN2OS/c1-8(16)15-12-14-7-11(17-12)6-9-3-2-4-10(13)5-9/h2-5,7H,6H2,1H3,(H,14,15,16)
InChIKeyBWLFBCWJSZVMHT-UHFFFAOYSA-N
XLogP3.35
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-4-Cmtb
CID 46226252
(2S)-2-(4-chlorophenyl)-3,3-dimethyl-N-(5-phenyl-1,3-thiazol-2-yl)butanamide
CID 46226294
1-Methyl-N-(5-phenylthiazol-2-yl)piperidine-4-carboxamide
CID 131953480
3-[5-[(2-Chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-imino-1,3-thiazolidin-4-one
CID 3157014
5-[(4-Chlorophenyl)methyl]-1,3-thiazol-2-amine
CID 701041
5-[(3-Chlorophenyl)methyl]-1,3-thiazol-2-amine
CID 795027
N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 2083675
2-(2-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 2673027
N-[5-(3-methylbenzyl)-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide
CID 4673983
Acetamide, 2-(4-chlorobenzylsulfanyl)-N-thiazol-2-yl-
CID 709144
3-(5-(3-Chlorobenzyl)thiazol-2-yl)-2-iminothiazolidin-4-one
CID 3157015
5-benzyl-N-methyl-1,3-thiazol-2-amine
CID 1229694

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide (CID 726201) is N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(Cc2cccc(Cl)c2)s1.
What is the InChIKey of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is BWLFBCWJSZVMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2OS/c1-8(16)15-12-14-7-11(17-12)6-9-3-2-4-10(13)5-9/h2-5,7H,6H2,1H3,(H,14,15,16).
What are the key properties of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 266.75 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 726201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).