4-bromo-5-methyl-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide

C15H12BrF3N6OS — CID 66629050

IUPAC4-bromo-5-methyl-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2csc(-c3nncn3C(C)C(F)(F)F)n2)cc1Br
InChIInChI=1S/C15H12BrF3N6OS/c1-7-4-20-10(3-9(7)16)13(26)22-11-5-27-14(23-11)12-24-21-6-25(12)8(2)15(17,18)19/h3-6,8H,1-2H3,(H,22,26)
InChIKeyWTCCRRZDLBSROH-UHFFFAOYSA-N
MW461.27 g/mol
LogP4.24
Rot. Bonds4

About 4-bromo-5-methyl-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide

4-bromo-5-methyl-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide (PubChem CID 66629050) has the molecular formula C15H12BrF3N6OS and a molecular weight of 461.27 g/mol. Its IUPAC name is 4-bromo-5-methyl-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-bromo-5-methyl-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide
PubChem CID66629050
Molecular FormulaC15H12BrF3N6OS
Molecular Weight461.27 g/mol
Exact Mass459.99
IUPAC Name4-bromo-5-methyl-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2csc(-c3nncn3C(C)C(F)(F)F)n2)cc1Br
InChIInChI=1S/C15H12BrF3N6OS/c1-7-4-20-10(3-9(7)16)13(26)22-11-5-27-14(23-11)12-24-21-6-25(12)8(2)15(17,18)19/h3-6,8H,1-2H3,(H,22,26)
InChIKeyWTCCRRZDLBSROH-UHFFFAOYSA-N
XLogP4.24
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.27
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-bromo-5-methyl-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-methyl-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of 4-bromo-5-methyl-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide (CID 66629050) is 4-bromo-5-methyl-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-bromo-5-methyl-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-bromo-5-methyl-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide is Cc1cnc(C(=O)Nc2csc(-c3nncn3C(C)C(F)(F)F)n2)cc1Br.
What is the InChIKey of 4-bromo-5-methyl-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide?
The InChIKey is WTCCRRZDLBSROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF3N6OS/c1-7-4-20-10(3-9(7)16)13(26)22-11-5-27-14(23-11)12-24-21-6-25(12)8(2)15(17,18)19/h3-6,8H,1-2H3,(H,22,26).
What are the key properties of 4-bromo-5-methyl-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide?
4-bromo-5-methyl-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide has a molecular weight of 461.27 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-methyl-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 66629050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).