2-(1-benzylimidazol-2-yl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide

C20H18N4OS2 — CID 7150993

IUPAC2-(1-benzylimidazol-2-yl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCc1ccc2nc(NC(=O)CSc3nccn3Cc3ccccc3)sc2c1
InChIInChI=1S/C20H18N4OS2/c1-14-7-8-16-17(11-14)27-19(22-16)23-18(25)13-26-20-21-9-10-24(20)12-15-5-3-2-4-6-15/h2-11H,12-13H2,1H3,(H,22,23,25)
InChIKeyIYNFTMFOMQDUPN-UHFFFAOYSA-N
MW394.53 g/mol
LogP4.58
Rot. Bonds6

About 2-(1-benzylimidazol-2-yl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide

2-(1-benzylimidazol-2-yl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 7150993) has the molecular formula C20H18N4OS2 and a molecular weight of 394.53 g/mol. Its IUPAC name is 2-(1-benzylimidazol-2-yl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-benzylimidazol-2-yl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
PubChem CID7150993
Molecular FormulaC20H18N4OS2
Molecular Weight394.53 g/mol
Exact Mass394.09
IUPAC Name2-(1-benzylimidazol-2-yl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCc1ccc2nc(NC(=O)CSc3nccn3Cc3ccccc3)sc2c1
InChIInChI=1S/C20H18N4OS2/c1-14-7-8-16-17(11-14)27-19(22-16)23-18(25)13-26-20-21-9-10-24(20)12-15-5-3-2-4-6-15/h2-11H,12-13H2,1H3,(H,22,23,25)
InChIKeyIYNFTMFOMQDUPN-UHFFFAOYSA-N
XLogP4.58
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.53
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(1-benzylimidazol-2-yl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide 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

Iwp-2
CID 2155128
N-[2-({12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethyl]acetamide
CID 20823986
2-({12-Methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)acetamide
CID 20823995
N-{6-[2-(Methylsulfanyl)pyrimidin-4-Yl]-1,3-Benzothiazol-2-Yl}acetamide
CID 25183031
N-[6-(Pyridin-3-Yl)-1,3-Benzothiazol-2-Yl]acetamide
CID 44481151
Metallo-|A-lactamase-IN-7
CID 162421325
3-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 24789150
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 685797
4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 2898055
N-[2-(diethylamino)ethyl]-2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 16018572
2-[(2-{3-[12-Methyl-8-(methylamino)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl]phenyl}ethyl)amino]acetamide
CID 23657350
N-({3-[12-methyl-8-(methylamino)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl]phenyl}methyl)acetamide
CID 25093444

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylimidazol-2-yl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(1-benzylimidazol-2-yl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide (CID 7150993) is 2-(1-benzylimidazol-2-yl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1-benzylimidazol-2-yl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(1-benzylimidazol-2-yl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide is Cc1ccc2nc(NC(=O)CSc3nccn3Cc3ccccc3)sc2c1.
What is the InChIKey of 2-(1-benzylimidazol-2-yl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is IYNFTMFOMQDUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS2/c1-14-7-8-16-17(11-14)27-19(22-16)23-18(25)13-26-20-21-9-10-24(20)12-15-5-3-2-4-6-15/h2-11H,12-13H2,1H3,(H,22,23,25).
What are the key properties of 2-(1-benzylimidazol-2-yl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
2-(1-benzylimidazol-2-yl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 394.53 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylimidazol-2-yl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 7150993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).