N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanylpropanamide

C18H18N2O2S2 — CID 7545140

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanylpropanamide
SMILESCOc1ccc2nc(NC(=O)CCSc3ccc(C)cc3)sc2c1
InChIInChI=1S/C18H18N2O2S2/c1-12-3-6-14(7-4-12)23-10-9-17(21)20-18-19-15-8-5-13(22-2)11-16(15)24-18/h3-8,11H,9-10H2,1-2H3,(H,19,20,21)
InChIKeyOFPPWLHDBXAFPX-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.73
Rot. Bonds6

About N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanylpropanamide

N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanylpropanamide (PubChem CID 7545140) has the molecular formula C18H18N2O2S2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanylpropanamide
PubChem CID7545140
Molecular FormulaC18H18N2O2S2
Molecular Weight358.49 g/mol
Exact Mass358.08
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanylpropanamide
SMILESCOc1ccc2nc(NC(=O)CCSc3ccc(C)cc3)sc2c1
InChIInChI=1S/C18H18N2O2S2/c1-12-3-6-14(7-4-12)23-10-9-17(21)20-18-19-15-8-5-13(22-2)11-16(15)24-18/h3-8,11H,9-10H2,1-2H3,(H,19,20,21)
InChIKeyOFPPWLHDBXAFPX-UHFFFAOYSA-N
XLogP4.73
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanylpropanamide 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-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 19173855
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanylpropanamide
CID 7545480
N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-4-methylbenzamide
CID 17479319
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide
CID 41325125
2-(4-methoxyphenyl)sulfanyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide
CID 41320931
3-(4-methoxyphenyl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 51277676
3-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 11953106
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(2-methylphenoxy)butanamide
CID 2238971
N-benzo[g][1,3]benzothiazol-2-yl-3-(4-methylphenyl)sulfanylpropanamide
CID 8609498
N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 7254652
3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 110678933

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanylpropanamide (CID 7545140) is N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanylpropanamide is COc1ccc2nc(NC(=O)CCSc3ccc(C)cc3)sc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is OFPPWLHDBXAFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S2/c1-12-3-6-14(7-4-12)23-10-9-17(21)20-18-19-15-8-5-13(22-2)11-16(15)24-18/h3-8,11H,9-10H2,1-2H3,(H,19,20,21).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanylpropanamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanylpropanamide has a molecular weight of 358.49 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 7545140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).