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

C19H18N2OS2 — CID 33283315

IUPACN-[(3-methylphenyl)methyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
SMILESCc1cccc(CNC(=O)c2ccccc2SCc2cscn2)c1
InChIInChI=1S/C19H18N2OS2/c1-14-5-4-6-15(9-14)10-20-19(22)17-7-2-3-8-18(17)24-12-16-11-23-13-21-16/h2-9,11,13H,10,12H2,1H3,(H,20,22)
InChIKeyYXWMQAOANAMFCP-UHFFFAOYSA-N
MW354.50 g/mol
LogP4.67
Rot. Bonds6

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

N-[(3-methylphenyl)methyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide (PubChem CID 33283315) has the molecular formula C19H18N2OS2 and a molecular weight of 354.50 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
PubChem CID33283315
Molecular FormulaC19H18N2OS2
Molecular Weight354.50 g/mol
Exact Mass354.09
IUPAC NameN-[(3-methylphenyl)methyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
SMILESCc1cccc(CNC(=O)c2ccccc2SCc2cscn2)c1
InChIInChI=1S/C19H18N2OS2/c1-14-5-4-6-15(9-14)10-20-19(22)17-7-2-3-8-18(17)24-12-16-11-23-13-21-16/h2-9,11,13H,10,12H2,1H3,(H,20,22)
InChIKeyYXWMQAOANAMFCP-UHFFFAOYSA-N
XLogP4.67
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3-methylphenyl)methyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-(phenylmethoxymethyl)phenyl]methyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 46456480
N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 46476875
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 46454933
(3,5-dimethylphenyl)methyl 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate
CID 18206166
N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 36543881
N-[2-(dimethylamino)-2-phenylethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 47021185
2-(1,3-thiazol-4-ylmethylsulfanyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 55522659
N-[2-(diethylamino)-2-phenylethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 46548406
N-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 97013879
N-(5-fluoro-2-methylphenyl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 55528362
N-[2-(2-methoxyphenyl)ethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 36653546
N-[2-(4-butoxyphenyl)ethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 55797013

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide (CID 33283315) is N-[(3-methylphenyl)methyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide is Cc1cccc(CNC(=O)c2ccccc2SCc2cscn2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
The InChIKey is YXWMQAOANAMFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS2/c1-14-5-4-6-15(9-14)10-20-19(22)17-7-2-3-8-18(17)24-12-16-11-23-13-21-16/h2-9,11,13H,10,12H2,1H3,(H,20,22).
What are the key properties of N-[(3-methylphenyl)methyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
N-[(3-methylphenyl)methyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide has a molecular weight of 354.50 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 33283315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).