N-[4-[3-methyl-2-[3-(trifluoromethyl)phenyl]imidazol-4-yl]phenyl]-1,3-thiazole-4-carboxamide

C21H15F3N4OS — CID 90149338

IUPACN-[4-[3-methyl-2-[3-(trifluoromethyl)phenyl]imidazol-4-yl]phenyl]-1,3-thiazole-4-carboxamide
SMILESCn1c(-c2ccc(NC(=O)c3cscn3)cc2)cnc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H15F3N4OS/c1-28-18(10-25-19(28)14-3-2-4-15(9-14)21(22,23)24)13-5-7-16(8-6-13)27-20(29)17-11-30-12-26-17/h2-12H,1H3,(H,27,29)
InChIKeyWOOIISZOHGAJRY-UHFFFAOYSA-N
MW428.44 g/mol
LogP5.48
Rot. Bonds4

About N-[4-[3-methyl-2-[3-(trifluoromethyl)phenyl]imidazol-4-yl]phenyl]-1,3-thiazole-4-carboxamide

N-[4-[3-methyl-2-[3-(trifluoromethyl)phenyl]imidazol-4-yl]phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 90149338) has the molecular formula C21H15F3N4OS and a molecular weight of 428.44 g/mol. Its IUPAC name is N-[4-[3-methyl-2-[3-(trifluoromethyl)phenyl]imidazol-4-yl]phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[3-methyl-2-[3-(trifluoromethyl)phenyl]imidazol-4-yl]phenyl]-1,3-thiazole-4-carboxamide
PubChem CID90149338
Molecular FormulaC21H15F3N4OS
Molecular Weight428.44 g/mol
Exact Mass428.09
IUPAC NameN-[4-[3-methyl-2-[3-(trifluoromethyl)phenyl]imidazol-4-yl]phenyl]-1,3-thiazole-4-carboxamide
SMILESCn1c(-c2ccc(NC(=O)c3cscn3)cc2)cnc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H15F3N4OS/c1-28-18(10-25-19(28)14-3-2-4-15(9-14)21(22,23)24)13-5-7-16(8-6-13)27-20(29)17-11-30-12-26-17/h2-12H,1H3,(H,27,29)
InChIKeyWOOIISZOHGAJRY-UHFFFAOYSA-N
XLogP5.48
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.44
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-[3,5-bis(trifluoromethyl)phenyl]-1H-imidazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide
CID 74223854
N-[4-[4-(3-chlorophenyl)-1-methylimidazol-2-yl]phenyl]-1,3-thiazole-4-carboxamide
CID 90149487
N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 75521087
N-[5-[1-[3-(trifluoromethyl)phenyl]ethylcarbamoylamino]-2-pyridinyl]-1,3-thiazole-4-carboxamide
CID 141025170
N-[6-[2-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]propyl]-1H-imidazol-5-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide
CID 90149497
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 55142680
N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide
CID 84554131
N-[4-(tert-butylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 62046167
N-[4-[2-(3-chloro-2-methylphenyl)-1H-imidazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide
CID 90149632
N-[2-methyl-4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-5-yl]-1,3-thiazole-4-carboxamide
CID 57386877
N-[4-[2-[[4-phenylmethoxy-2-[3-(trifluoromethyl)phenyl]butanoyl]amino]-1H-imidazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide
CID 118494569
N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 62045147

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-methyl-2-[3-(trifluoromethyl)phenyl]imidazol-4-yl]phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-[3-methyl-2-[3-(trifluoromethyl)phenyl]imidazol-4-yl]phenyl]-1,3-thiazole-4-carboxamide (CID 90149338) is N-[4-[3-methyl-2-[3-(trifluoromethyl)phenyl]imidazol-4-yl]phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-[3-methyl-2-[3-(trifluoromethyl)phenyl]imidazol-4-yl]phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-[3-methyl-2-[3-(trifluoromethyl)phenyl]imidazol-4-yl]phenyl]-1,3-thiazole-4-carboxamide is Cn1c(-c2ccc(NC(=O)c3cscn3)cc2)cnc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[4-[3-methyl-2-[3-(trifluoromethyl)phenyl]imidazol-4-yl]phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is WOOIISZOHGAJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4OS/c1-28-18(10-25-19(28)14-3-2-4-15(9-14)21(22,23)24)13-5-7-16(8-6-13)27-20(29)17-11-30-12-26-17/h2-12H,1H3,(H,27,29).
What are the key properties of N-[4-[3-methyl-2-[3-(trifluoromethyl)phenyl]imidazol-4-yl]phenyl]-1,3-thiazole-4-carboxamide?
N-[4-[3-methyl-2-[3-(trifluoromethyl)phenyl]imidazol-4-yl]phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 428.44 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-methyl-2-[3-(trifluoromethyl)phenyl]imidazol-4-yl]phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90149338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).