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

C18H15ClN2OS — CID 108760326

IUPAC3-chloro-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]benzamide
SMILESCc1ccccc1-c1nc(CNC(=O)c2cccc(Cl)c2)cs1
InChIInChI=1S/C18H15ClN2OS/c1-12-5-2-3-8-16(12)18-21-15(11-23-18)10-20-17(22)13-6-4-7-14(19)9-13/h2-9,11H,10H2,1H3,(H,20,22)
InChIKeyYIWWLRRCDJEBNH-UHFFFAOYSA-N
MW342.85 g/mol
LogP4.70
Rot. Bonds4

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

3-chloro-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]benzamide (PubChem CID 108760326) has the molecular formula C18H15ClN2OS and a molecular weight of 342.85 g/mol. Its IUPAC name is 3-chloro-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]benzamide
PubChem CID108760326
Molecular FormulaC18H15ClN2OS
Molecular Weight342.85 g/mol
Exact Mass342.06
IUPAC Name3-chloro-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]benzamide
SMILESCc1ccccc1-c1nc(CNC(=O)c2cccc(Cl)c2)cs1
InChIInChI=1S/C18H15ClN2OS/c1-12-5-2-3-8-16(12)18-21-15(11-23-18)10-20-17(22)13-6-4-7-14(19)9-13/h2-9,11H,10H2,1H3,(H,20,22)
InChIKeyYIWWLRRCDJEBNH-UHFFFAOYSA-N
XLogP4.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.85
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 108737461
2-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 108737460
N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-4-pyrrol-1-ylbenzamide
CID 108737407
N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]butanamide
CID 108737483
3-chloro-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319283
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 9488944
3,4,5-trimethoxy-N-[2-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methylamino]-2-oxoethyl]benzamide
CID 108760331
3-chloro-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]benzamide
CID 16867616
(E)-3-(3,4-dichlorophenyl)-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]prop-2-enamide
CID 108760384
3-chloro-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7119199
N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]cyclohexanecarboxamide
CID 108760316
4-(4-methylphenyl)-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-4-oxobutanamide
CID 108737518

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]benzamide?
The IUPAC name of 3-chloro-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]benzamide (CID 108760326) is 3-chloro-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]benzamide.
What is the SMILES notation for 3-chloro-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]benzamide?
The canonical SMILES for 3-chloro-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]benzamide is Cc1ccccc1-c1nc(CNC(=O)c2cccc(Cl)c2)cs1.
What is the InChIKey of 3-chloro-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]benzamide?
The InChIKey is YIWWLRRCDJEBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2OS/c1-12-5-2-3-8-16(12)18-21-15(11-23-18)10-20-17(22)13-6-4-7-14(19)9-13/h2-9,11H,10H2,1H3,(H,20,22).
What are the key properties of 3-chloro-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]benzamide?
3-chloro-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]benzamide has a molecular weight of 342.85 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]benzamide is sourced from PubChem (CID 108760326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).