N-[4-[2-(3-chloro-2-methylphenyl)-1H-imidazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide

C20H15ClN4OS — CID 90149632

IUPACN-[4-[2-(3-chloro-2-methylphenyl)-1H-imidazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide
SMILESCc1c(Cl)cccc1-c1ncc(-c2ccc(NC(=O)c3cscn3)cc2)[nH]1
InChIInChI=1S/C20H15ClN4OS/c1-12-15(3-2-4-16(12)21)19-22-9-17(25-19)13-5-7-14(8-6-13)24-20(26)18-10-27-11-23-18/h2-11H,1H3,(H,22,25)(H,24,26)
InChIKeyDVDVOZAVQVXRDY-UHFFFAOYSA-N
MW394.89 g/mol
LogP5.41
Rot. Bonds4

About N-[4-[2-(3-chloro-2-methylphenyl)-1H-imidazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide

N-[4-[2-(3-chloro-2-methylphenyl)-1H-imidazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 90149632) has the molecular formula C20H15ClN4OS and a molecular weight of 394.89 g/mol. Its IUPAC name is N-[4-[2-(3-chloro-2-methylphenyl)-1H-imidazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(3-chloro-2-methylphenyl)-1H-imidazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide
PubChem CID90149632
Molecular FormulaC20H15ClN4OS
Molecular Weight394.89 g/mol
Exact Mass394.07
IUPAC NameN-[4-[2-(3-chloro-2-methylphenyl)-1H-imidazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide
SMILESCc1c(Cl)cccc1-c1ncc(-c2ccc(NC(=O)c3cscn3)cc2)[nH]1
InChIInChI=1S/C20H15ClN4OS/c1-12-15(3-2-4-16(12)21)19-22-9-17(25-19)13-5-7-14(8-6-13)24-20(26)18-10-27-11-23-18/h2-11H,1H3,(H,22,25)(H,24,26)
InChIKeyDVDVOZAVQVXRDY-UHFFFAOYSA-N
XLogP5.41
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.89
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(3-chloro-2-fluorophenyl)-1H-imidazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide
CID 90149391
N-[4-[2-[3,5-bis(trifluoromethyl)phenyl]-1H-imidazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide
CID 74223854
N-[4-(5-anilino-1H-pyrrol-2-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 90149631
2-chloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-methylbenzamide
CID 58006485
N-(2-chloro-6-methylphenyl)-1,3-thiazole-4-carboxamide
CID 66255718
N-phenyl-1,3-thiazole-4-carboxamide
CID 62045972
N-[4-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1,3-thiazole-4-carboxamide
CID 90149485
N-(4-chloro-3-hydroxyphenyl)-1,3-thiazole-4-carboxamide
CID 64787879
2,3-dichloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]benzamide
CID 58006486
N-[4-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1,3-thiazole-4-carboxamide
CID 90149414
N-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 62045312
N-(2-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 62046847

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-chloro-2-methylphenyl)-1H-imidazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-[2-(3-chloro-2-methylphenyl)-1H-imidazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide (CID 90149632) is N-[4-[2-(3-chloro-2-methylphenyl)-1H-imidazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-[2-(3-chloro-2-methylphenyl)-1H-imidazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-[2-(3-chloro-2-methylphenyl)-1H-imidazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide is Cc1c(Cl)cccc1-c1ncc(-c2ccc(NC(=O)c3cscn3)cc2)[nH]1.
What is the InChIKey of N-[4-[2-(3-chloro-2-methylphenyl)-1H-imidazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is DVDVOZAVQVXRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4OS/c1-12-15(3-2-4-16(12)21)19-22-9-17(25-19)13-5-7-14(8-6-13)24-20(26)18-10-27-11-23-18/h2-11H,1H3,(H,22,25)(H,24,26).
What are the key properties of N-[4-[2-(3-chloro-2-methylphenyl)-1H-imidazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide?
N-[4-[2-(3-chloro-2-methylphenyl)-1H-imidazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 394.89 g/mol, XLogP of 5.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-chloro-2-methylphenyl)-1H-imidazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90149632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).