N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide

C20H18N4O2S — CID 31505088

IUPACN-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide
SMILESCOc1cccc([C@@H](NC(=O)c2ccc3ncsc3c2)c2nccn2C)c1
InChIInChI=1S/C20H18N4O2S/c1-24-9-8-21-19(24)18(13-4-3-5-15(10-13)26-2)23-20(25)14-6-7-16-17(11-14)27-12-22-16/h3-12,18H,1-2H3,(H,23,25)/t18-/m1/s1
InChIKeyVBKUZDFKAOYRGQ-GOSISDBHSA-N
MW378.46 g/mol
LogP3.56
Rot. Bonds5

About N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide

N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide (PubChem CID 31505088) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide
PubChem CID31505088
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC NameN-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide
SMILESCOc1cccc([C@@H](NC(=O)c2ccc3ncsc3c2)c2nccn2C)c1
InChIInChI=1S/C20H18N4O2S/c1-24-9-8-21-19(24)18(13-4-3-5-15(10-13)26-2)23-20(25)14-6-7-16-17(11-14)27-12-22-16/h3-12,18H,1-2H3,(H,23,25)/t18-/m1/s1
InChIKeyVBKUZDFKAOYRGQ-GOSISDBHSA-N
XLogP3.56
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide 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

3-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 51259902
3-cyano-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 47014722
3-acetamido-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 42923239
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide
CID 55453555
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(methylsulfinylmethyl)benzamide
CID 134024613
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-nitrobenzamide
CID 51269163
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-piperidin-1-ylbenzamide
CID 46971613
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylbenzamide
CID 18151112
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenoxybenzamide
CID 55457244
3-methoxy-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 55772809
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-fluorobenzamide
CID 51273493
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]furan-2-carboxamide
CID 51269162

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide (CID 31505088) is N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide is COc1cccc([C@@H](NC(=O)c2ccc3ncsc3c2)c2nccn2C)c1.
What is the InChIKey of N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is VBKUZDFKAOYRGQ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-24-9-8-21-19(24)18(13-4-3-5-15(10-13)26-2)23-20(25)14-6-7-16-17(11-14)27-12-22-16/h3-12,18H,1-2H3,(H,23,25)/t18-/m1/s1.
What are the key properties of N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide?
N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 378.46 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 31505088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).