N-[4-[4-(3-chlorophenyl)-1-methylimidazol-2-yl]phenyl]-1,3-thiazole-4-carboxamide

C20H15ClN4OS — CID 90149487

IUPACN-[4-[4-(3-chlorophenyl)-1-methylimidazol-2-yl]phenyl]-1,3-thiazole-4-carboxamide
SMILESCn1cc(-c2cccc(Cl)c2)nc1-c1ccc(NC(=O)c2cscn2)cc1
InChIInChI=1S/C20H15ClN4OS/c1-25-10-17(14-3-2-4-15(21)9-14)24-19(25)13-5-7-16(8-6-13)23-20(26)18-11-27-12-22-18/h2-12H,1H3,(H,23,26)
InChIKeyVHNJABXDDAFMRA-UHFFFAOYSA-N
MW394.89 g/mol
LogP5.12
Rot. Bonds4

About N-[4-[4-(3-chlorophenyl)-1-methylimidazol-2-yl]phenyl]-1,3-thiazole-4-carboxamide

N-[4-[4-(3-chlorophenyl)-1-methylimidazol-2-yl]phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 90149487) has the molecular formula C20H15ClN4OS and a molecular weight of 394.89 g/mol. Its IUPAC name is N-[4-[4-(3-chlorophenyl)-1-methylimidazol-2-yl]phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(3-chlorophenyl)-1-methylimidazol-2-yl]phenyl]-1,3-thiazole-4-carboxamide
PubChem CID90149487
Molecular FormulaC20H15ClN4OS
Molecular Weight394.89 g/mol
Exact Mass394.07
IUPAC NameN-[4-[4-(3-chlorophenyl)-1-methylimidazol-2-yl]phenyl]-1,3-thiazole-4-carboxamide
SMILESCn1cc(-c2cccc(Cl)c2)nc1-c1ccc(NC(=O)c2cscn2)cc1
InChIInChI=1S/C20H15ClN4OS/c1-25-10-17(14-3-2-4-15(21)9-14)24-19(25)13-5-7-16(8-6-13)23-20(26)18-11-27-12-22-18/h2-12H,1H3,(H,23,26)
InChIKeyVHNJABXDDAFMRA-UHFFFAOYSA-N
XLogP5.12
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.89
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[3-methyl-2-[3-(trifluoromethyl)phenyl]imidazol-4-yl]phenyl]-1,3-thiazole-4-carboxamide
CID 90149338
N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 75521087
N-[1-[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-oxo-4-pyridinyl]-1,3-thiazole-4-carboxamide
CID 74223034
N-phenyl-1,3-thiazole-4-carboxamide
CID 62045972
N-[2-[(3-chlorobenzoyl)amino]-1,3-benzothiazol-6-yl]-1,3-thiazole-4-carboxamide
CID 90144262
N-[4-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1,3-thiazole-4-carboxamide
CID 90149414
N-[4-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1,3-thiazole-4-carboxamide
CID 90149485
N-(4-acetamidophenyl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 46479944
N-(4-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 62045477
N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 62045147
N-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 62045312
1-(4-chlorophenyl)-3-[3-(1,3-thiazol-4-yl)phenyl]urea
CID 135376255

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-chlorophenyl)-1-methylimidazol-2-yl]phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-[4-(3-chlorophenyl)-1-methylimidazol-2-yl]phenyl]-1,3-thiazole-4-carboxamide (CID 90149487) is N-[4-[4-(3-chlorophenyl)-1-methylimidazol-2-yl]phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-[4-(3-chlorophenyl)-1-methylimidazol-2-yl]phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-[4-(3-chlorophenyl)-1-methylimidazol-2-yl]phenyl]-1,3-thiazole-4-carboxamide is Cn1cc(-c2cccc(Cl)c2)nc1-c1ccc(NC(=O)c2cscn2)cc1.
What is the InChIKey of N-[4-[4-(3-chlorophenyl)-1-methylimidazol-2-yl]phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is VHNJABXDDAFMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4OS/c1-25-10-17(14-3-2-4-15(21)9-14)24-19(25)13-5-7-16(8-6-13)23-20(26)18-11-27-12-22-18/h2-12H,1H3,(H,23,26).
What are the key properties of N-[4-[4-(3-chlorophenyl)-1-methylimidazol-2-yl]phenyl]-1,3-thiazole-4-carboxamide?
N-[4-[4-(3-chlorophenyl)-1-methylimidazol-2-yl]phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 394.89 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-chlorophenyl)-1-methylimidazol-2-yl]phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90149487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).