2-methyl-N-(2-propylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

C15H15F3N2OS — CID 18925397

IUPAC2-methyl-N-(2-propylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCCCc1ccccc1NC(=O)c1sc(C)nc1C(F)(F)F
InChIInChI=1S/C15H15F3N2OS/c1-3-6-10-7-4-5-8-11(10)20-14(21)12-13(15(16,17)18)19-9(2)22-12/h4-5,7-8H,3,6H2,1-2H3,(H,20,21)
InChIKeyUBKYZQJHZZRCFY-UHFFFAOYSA-N
MW328.36 g/mol
LogP4.68
Rot. Bonds4

About 2-methyl-N-(2-propylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

2-methyl-N-(2-propylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 18925397) has the molecular formula C15H15F3N2OS and a molecular weight of 328.36 g/mol. Its IUPAC name is 2-methyl-N-(2-propylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-propylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID18925397
Molecular FormulaC15H15F3N2OS
Molecular Weight328.36 g/mol
Exact Mass328.09
IUPAC Name2-methyl-N-(2-propylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCCCc1ccccc1NC(=O)c1sc(C)nc1C(F)(F)F
InChIInChI=1S/C15H15F3N2OS/c1-3-6-10-7-4-5-8-11(10)20-14(21)12-13(15(16,17)18)19-9(2)22-12/h4-5,7-8H,3,6H2,1-2H3,(H,20,21)
InChIKeyUBKYZQJHZZRCFY-UHFFFAOYSA-N
XLogP4.68
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-propylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-methyl-N-(2-propylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 18925397) is 2-methyl-N-(2-propylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-propylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-(2-propylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is CCCc1ccccc1NC(=O)c1sc(C)nc1C(F)(F)F.
What is the InChIKey of 2-methyl-N-(2-propylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is UBKYZQJHZZRCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2OS/c1-3-6-10-7-4-5-8-11(10)20-14(21)12-13(15(16,17)18)19-9(2)22-12/h4-5,7-8H,3,6H2,1-2H3,(H,20,21).
What are the key properties of 2-methyl-N-(2-propylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
2-methyl-N-(2-propylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 328.36 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-propylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 18925397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).