N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide

C24H17F3N4O2S — CID 16745819

IUPACN-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1csc(-c2ccncc2)n1
InChIInChI=1S/C24H17F3N4O2S/c1-14-5-6-16(21(32)29-18-4-2-3-17(12-18)24(25,26)27)11-19(14)30-22(33)20-13-34-23(31-20)15-7-9-28-10-8-15/h2-13H,1H3,(H,29,32)(H,30,33)
InChIKeyIZLMOKXOUIWIFF-UHFFFAOYSA-N
MW482.49 g/mol
LogP6.04
Rot. Bonds5

About N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide

N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide (PubChem CID 16745819) has the molecular formula C24H17F3N4O2S and a molecular weight of 482.49 g/mol. Its IUPAC name is N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
PubChem CID16745819
Molecular FormulaC24H17F3N4O2S
Molecular Weight482.49 g/mol
Exact Mass482.10
IUPAC NameN-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1csc(-c2ccncc2)n1
InChIInChI=1S/C24H17F3N4O2S/c1-14-5-6-16(21(32)29-18-4-2-3-17(12-18)24(25,26)27)11-19(14)30-22(33)20-13-34-23(31-20)15-7-9-28-10-8-15/h2-13H,1H3,(H,29,32)(H,30,33)
InChIKeyIZLMOKXOUIWIFF-UHFFFAOYSA-N
XLogP6.04
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.49
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide (CID 16745819) is N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide is Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1csc(-c2ccncc2)n1.
What is the InChIKey of N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The InChIKey is IZLMOKXOUIWIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N4O2S/c1-14-5-6-16(21(32)29-18-4-2-3-17(12-18)24(25,26)27)11-19(14)30-22(33)20-13-34-23(31-20)15-7-9-28-10-8-15/h2-13H,1H3,(H,29,32)(H,30,33).
What are the key properties of N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide has a molecular weight of 482.49 g/mol, XLogP of 6.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16745819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).