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

C19H12ClFN4OS — CID 90149391

IUPACN-[4-[2-(3-chloro-2-fluorophenyl)-1H-imidazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(-c2cnc(-c3cccc(Cl)c3F)[nH]2)cc1)c1cscn1
InChIInChI=1S/C19H12ClFN4OS/c20-14-3-1-2-13(17(14)21)18-22-8-15(25-18)11-4-6-12(7-5-11)24-19(26)16-9-27-10-23-16/h1-10H,(H,22,25)(H,24,26)
InChIKeyAXROCVPDHQGPIW-UHFFFAOYSA-N
MW398.85 g/mol
LogP5.24
Rot. Bonds4

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

N-[4-[2-(3-chloro-2-fluorophenyl)-1H-imidazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 90149391) has the molecular formula C19H12ClFN4OS and a molecular weight of 398.85 g/mol. Its IUPAC name is N-[4-[2-(3-chloro-2-fluorophenyl)-1H-imidazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(3-chloro-2-fluorophenyl)-1H-imidazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide
PubChem CID90149391
Molecular FormulaC19H12ClFN4OS
Molecular Weight398.85 g/mol
Exact Mass398.04
IUPAC NameN-[4-[2-(3-chloro-2-fluorophenyl)-1H-imidazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(-c2cnc(-c3cccc(Cl)c3F)[nH]2)cc1)c1cscn1
InChIInChI=1S/C19H12ClFN4OS/c20-14-3-1-2-13(17(14)21)18-22-8-15(25-18)11-4-6-12(7-5-11)24-19(26)16-9-27-10-23-16/h1-10H,(H,22,25)(H,24,26)
InChIKeyAXROCVPDHQGPIW-UHFFFAOYSA-N
XLogP5.24
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.85
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(3-chloro-2-methylphenyl)-1H-imidazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide
CID 90149632
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
N-phenyl-1,3-thiazole-4-carboxamide
CID 62045972
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-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 62045147
N-[4-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1,3-thiazole-4-carboxamide
CID 90149414
2-chloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-methylbenzamide
CID 58006485
N-(2-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 62046847
N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-5-fluoropyridine-3-carboxamide
CID 58006446
2-chloro-N-[4-(1,3-thiazol-4-yl)phenyl]benzamide
CID 67321630

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-chloro-2-fluorophenyl)-1H-imidazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-[2-(3-chloro-2-fluorophenyl)-1H-imidazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide (CID 90149391) is N-[4-[2-(3-chloro-2-fluorophenyl)-1H-imidazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-[2-(3-chloro-2-fluorophenyl)-1H-imidazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-[2-(3-chloro-2-fluorophenyl)-1H-imidazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide is O=C(Nc1ccc(-c2cnc(-c3cccc(Cl)c3F)[nH]2)cc1)c1cscn1.
What is the InChIKey of N-[4-[2-(3-chloro-2-fluorophenyl)-1H-imidazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is AXROCVPDHQGPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN4OS/c20-14-3-1-2-13(17(14)21)18-22-8-15(25-18)11-4-6-12(7-5-11)24-19(26)16-9-27-10-23-16/h1-10H,(H,22,25)(H,24,26).
What are the key properties of N-[4-[2-(3-chloro-2-fluorophenyl)-1H-imidazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide?
N-[4-[2-(3-chloro-2-fluorophenyl)-1H-imidazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 398.85 g/mol, XLogP of 5.24, 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-fluorophenyl)-1H-imidazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90149391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).