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

C18H15ClN2OS — CID 53037569

IUPACN-[(2-chlorophenyl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)benzamide
SMILESCc1nc(-c2ccc(C(=O)NCc3ccccc3Cl)cc2)cs1
InChIInChI=1S/C18H15ClN2OS/c1-12-21-17(11-23-12)13-6-8-14(9-7-13)18(22)20-10-15-4-2-3-5-16(15)19/h2-9,11H,10H2,1H3,(H,20,22)
InChIKeyVGSSBYHKSKTHHC-UHFFFAOYSA-N
MW342.85 g/mol
LogP4.70
Rot. Bonds4

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

N-[(2-chlorophenyl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)benzamide (PubChem CID 53037569) has the molecular formula C18H15ClN2OS and a molecular weight of 342.85 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)benzamide
PubChem CID53037569
Molecular FormulaC18H15ClN2OS
Molecular Weight342.85 g/mol
Exact Mass342.06
IUPAC NameN-[(2-chlorophenyl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)benzamide
SMILESCc1nc(-c2ccc(C(=O)NCc3ccccc3Cl)cc2)cs1
InChIInChI=1S/C18H15ClN2OS/c1-12-21-17(11-23-12)13-6-8-14(9-7-13)18(22)20-10-15-4-2-3-5-16(15)19/h2-9,11H,10H2,1H3,(H,20,22)
InChIKeyVGSSBYHKSKTHHC-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

N-hydroxy-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 167927329
1-N-[(2-chlorophenyl)methyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043860
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide;hydrochloride
CID 52984164
N-(2-methylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 53037594
N-(2-iodophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 126092839
4-ethyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 16568166
3,5-difluoro-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]benzamide
CID 25397079
3-fluoro-4-methyl-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]benzamide
CID 25397907
N-[(2-chlorophenyl)methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9401470
N-[(2-chlorophenyl)methyl]-4,5-dimethyl-1,3-thiazole-2-carboxamide
CID 110696299
2-chloro-N-[(2-chlorophenyl)methyl]-6-methylpyridine-4-carboxamide
CID 113378301
1-[(2-chlorophenyl)methyl]-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]pyrazole-4-carboxamide
CID 134016060

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)benzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)benzamide (CID 53037569) is N-[(2-chlorophenyl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)benzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)benzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)benzamide is Cc1nc(-c2ccc(C(=O)NCc3ccccc3Cl)cc2)cs1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)benzamide?
The InChIKey is VGSSBYHKSKTHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2OS/c1-12-21-17(11-23-12)13-6-8-14(9-7-13)18(22)20-10-15-4-2-3-5-16(15)19/h2-9,11H,10H2,1H3,(H,20,22).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)benzamide?
N-[(2-chlorophenyl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)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 N-[(2-chlorophenyl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)benzamide is sourced from PubChem (CID 53037569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).