N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

C21H20N4O2S2 — CID 25330794

IUPACN-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc([C@H](NC(=O)c2sc(-c3ccsc3)nc2C)c2nccn2C)cc1
InChIInChI=1S/C21H20N4O2S2/c1-13-18(29-21(23-13)15-8-11-28-12-15)20(26)24-17(19-22-9-10-25(19)2)14-4-6-16(27-3)7-5-14/h4-12,17H,1-3H3,(H,24,26)/t17-/m0/s1
InChIKeyBJONOMOTKIZICJ-KRWDZBQOSA-N
MW424.55 g/mol
LogP4.44
Rot. Bonds6

About N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 25330794) has the molecular formula C21H20N4O2S2 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
PubChem CID25330794
Molecular FormulaC21H20N4O2S2
Molecular Weight424.55 g/mol
Exact Mass424.10
IUPAC NameN-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc([C@H](NC(=O)c2sc(-c3ccsc3)nc2C)c2nccn2C)cc1
InChIInChI=1S/C21H20N4O2S2/c1-13-18(29-21(23-13)15-8-11-28-12-15)20(26)24-17(19-22-9-10-25(19)2)14-4-6-16(27-3)7-5-14/h4-12,17H,1-3H3,(H,24,26)/t17-/m0/s1
InChIKeyBJONOMOTKIZICJ-KRWDZBQOSA-N
XLogP4.44
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-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

N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 43013985
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 47015013
2-(3-chlorophenyl)-4-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,3-thiazole-5-carboxamide
CID 55444393
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-6-methylpyridine-3-carboxamide
CID 46451083
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide
CID 46529258
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide
CID 78835145
N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 41291742
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 46528475
5-ethyl-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylthiophene-2-carboxamide
CID 25389100
3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dimethylurea
CID 110429250
3,4-dimethoxy-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 46528524
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 25389914

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (CID 25330794) is N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is COc1ccc([C@H](NC(=O)c2sc(-c3ccsc3)nc2C)c2nccn2C)cc1.
What is the InChIKey of N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is BJONOMOTKIZICJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H20N4O2S2/c1-13-18(29-21(23-13)15-8-11-28-12-15)20(26)24-17(19-22-9-10-25(19)2)14-4-6-16(27-3)7-5-14/h4-12,17H,1-3H3,(H,24,26)/t17-/m0/s1.
What are the key properties of N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 424.55 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 25330794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).