4-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide

C12H11ClN2OS — CID 39855026

IUPAC4-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
SMILESCc1ncc(CNC(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C12H11ClN2OS/c1-8-14-6-11(17-8)7-15-12(16)9-2-4-10(13)5-3-9/h2-6H,7H2,1H3,(H,15,16)
InChIKeyLYAKJYFJVOQXTL-UHFFFAOYSA-N
MW266.75 g/mol
LogP3.03
Rot. Bonds3

About 4-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide

4-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide (PubChem CID 39855026) has the molecular formula C12H11ClN2OS and a molecular weight of 266.75 g/mol. Its IUPAC name is 4-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
PubChem CID39855026
Molecular FormulaC12H11ClN2OS
Molecular Weight266.75 g/mol
Exact Mass266.03
IUPAC Name4-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
SMILESCc1ncc(CNC(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C12H11ClN2OS/c1-8-14-6-11(17-8)7-15-12(16)9-2-4-10(13)5-3-9/h2-6H,7H2,1H3,(H,15,16)
InChIKeyLYAKJYFJVOQXTL-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 39855023
5-chloro-2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 61225336
6-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide
CID 66462161
3-[4-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]phenyl]prop-2-enoic acid
CID 76907016
3,4,5-trifluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63189301
N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide
CID 86835946
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 86836166
6-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridazine-3-carboxamide
CID 61282849
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-(propylamino)pyridine-3-carboxamide
CID 62176173
2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 86825704
4-bromo-N-[3-[(2-methyl-1,3-thiazol-5-yl)methylamino]-3-oxopropyl]benzamide
CID 86825632
5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-carboxamide
CID 39855027

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The IUPAC name of 4-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide (CID 39855026) is 4-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The canonical SMILES for 4-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide is Cc1ncc(CNC(=O)c2ccc(Cl)cc2)s1.
What is the InChIKey of 4-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The InChIKey is LYAKJYFJVOQXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2OS/c1-8-14-6-11(17-8)7-15-12(16)9-2-4-10(13)5-3-9/h2-6H,7H2,1H3,(H,15,16).
What are the key properties of 4-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide?
4-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide has a molecular weight of 266.75 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide is sourced from PubChem (CID 39855026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).