N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

C20H21N5OS — CID 75490678

IUPACN-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2cccc2)sc1C(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C
InChIInChI=1S/C20H21N5OS/c1-12(2)16(18-22-14-8-4-5-9-15(14)23-18)24-19(26)17-13(3)21-20(27-17)25-10-6-7-11-25/h4-12,16H,1-3H3,(H,22,23)(H,24,26)/t16-/m0/s1
InChIKeyHFUMZADEPBHXFK-INIZCTEOSA-N
MW379.49 g/mol
LogP4.25
Rot. Bonds5

About N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 75490678) has the molecular formula C20H21N5OS and a molecular weight of 379.49 g/mol. Its IUPAC name is N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
PubChem CID75490678
Molecular FormulaC20H21N5OS
Molecular Weight379.49 g/mol
Exact Mass379.15
IUPAC NameN-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2cccc2)sc1C(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C
InChIInChI=1S/C20H21N5OS/c1-12(2)16(18-22-14-8-4-5-9-15(14)23-18)24-19(26)17-13(3)21-20(27-17)25-10-6-7-11-25/h4-12,16H,1-3H3,(H,22,23)(H,24,26)/t16-/m0/s1
InChIKeyHFUMZADEPBHXFK-INIZCTEOSA-N
XLogP4.25
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-methyl-2-pyrrol-1-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-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 55863434
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxamide
CID 75490402
2-(2-aminoethyl)-N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 166286451
(2S)-3-methyl-2-[(4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carbonyl)amino]butanoic acid
CID 45490970
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 9120351
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-methylindole-2-carboxamide
CID 75903083
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-bromobenzamide
CID 8927969
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-fluorobenzamide
CID 4779807
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide
CID 3701693
N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-methylindole-6-carboxamide
CID 124847703
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-methylindole-5-carboxamide
CID 86206903
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976349

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (CID 75490678) is N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is Cc1nc(-n2cccc2)sc1C(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C.
What is the InChIKey of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is HFUMZADEPBHXFK-INIZCTEOSA-N. The full InChI is InChI=1S/C20H21N5OS/c1-12(2)16(18-22-14-8-4-5-9-15(14)23-18)24-19(26)17-13(3)21-20(27-17)25-10-6-7-11-25/h4-12,16H,1-3H3,(H,22,23)(H,24,26)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 379.49 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 75490678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).