N-[4-(benzimidazol-1-yl)phenyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide

C21H20N4OS — CID 55686528

IUPACN-[4-(benzimidazol-1-yl)phenyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)C)sc1C(=O)Nc1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C21H20N4OS/c1-13(2)21-23-14(3)19(27-21)20(26)24-15-8-10-16(11-9-15)25-12-22-17-6-4-5-7-18(17)25/h4-13H,1-3H3,(H,24,26)
InChIKeyJCCONZIIQGEMKU-UHFFFAOYSA-N
MW376.49 g/mol
LogP5.17
Rot. Bonds4

About N-[4-(benzimidazol-1-yl)phenyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide

N-[4-(benzimidazol-1-yl)phenyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 55686528) has the molecular formula C21H20N4OS and a molecular weight of 376.49 g/mol. Its IUPAC name is N-[4-(benzimidazol-1-yl)phenyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(benzimidazol-1-yl)phenyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID55686528
Molecular FormulaC21H20N4OS
Molecular Weight376.49 g/mol
Exact Mass376.14
IUPAC NameN-[4-(benzimidazol-1-yl)phenyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)C)sc1C(=O)Nc1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C21H20N4OS/c1-13(2)21-23-14(3)19(27-21)20(26)24-15-8-10-16(11-9-15)25-12-22-17-6-4-5-7-18(17)25/h4-13H,1-3H3,(H,24,26)
InChIKeyJCCONZIIQGEMKU-UHFFFAOYSA-N
XLogP5.17
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.49
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dichlorophenyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 46450785
(2S)-2-amino-N-[4-(benzimidazol-1-yl)phenyl]-4-methylpentanamide
CID 119834374
N-[4-(benzimidazol-1-yl)phenyl]-2-bromobenzamide
CID 46688452
N-[4-(benzimidazol-1-yl)phenyl]butanamide
CID 17479709
(2S)-2-amino-N-[4-(benzimidazol-1-yl)phenyl]-3,3-dimethylbutanamide
CID 119834362
N-[4-(benzimidazol-1-yl)phenyl]-2-(2-methylphenyl)acetamide
CID 41491570
N-[4-(benzimidazol-1-yl)phenyl]-2-methoxybenzamide
CID 46692672
N-[4-(benzimidazol-1-yl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 17487112
(Z)-N-[4-(benzimidazol-1-yl)phenyl]-2-methylpent-2-enamide
CID 60553883
N-[2-[4-(benzimidazol-1-yl)anilino]-2-oxoethyl]-4-methylbenzamide
CID 24600085
methyl 2-[2-[[4-(benzimidazol-1-yl)phenyl]carbamoyl]phenyl]sulfanylpropanoate
CID 60528401
(2S)-N-[4-(benzimidazol-1-yl)phenyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 24513087

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzimidazol-1-yl)phenyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[4-(benzimidazol-1-yl)phenyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide (CID 55686528) is N-[4-(benzimidazol-1-yl)phenyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[4-(benzimidazol-1-yl)phenyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[4-(benzimidazol-1-yl)phenyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(C(C)C)sc1C(=O)Nc1ccc(-n2cnc3ccccc32)cc1.
What is the InChIKey of N-[4-(benzimidazol-1-yl)phenyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is JCCONZIIQGEMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4OS/c1-13(2)21-23-14(3)19(27-21)20(26)24-15-8-10-16(11-9-15)25-12-22-17-6-4-5-7-18(17)25/h4-13H,1-3H3,(H,24,26).
What are the key properties of N-[4-(benzimidazol-1-yl)phenyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
N-[4-(benzimidazol-1-yl)phenyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 376.49 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzimidazol-1-yl)phenyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55686528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).