2-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

C16H19F3N2OS2 — CID 59683027

IUPAC2-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(F)(F)F)c(C(=O)Nc2ccsc2C(C)CC(C)C)s1
InChIInChI=1S/C16H19F3N2OS2/c1-8(2)7-9(3)12-11(5-6-23-12)21-15(22)13-14(16(17,18)19)20-10(4)24-13/h5-6,8-9H,7H2,1-4H3,(H,21,22)
InChIKeyVOQGNXPXIGANEG-UHFFFAOYSA-N
MW376.47 g/mol
LogP5.93
Rot. Bonds5

About 2-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

2-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 59683027) has the molecular formula C16H19F3N2OS2 and a molecular weight of 376.47 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID59683027
Molecular FormulaC16H19F3N2OS2
Molecular Weight376.47 g/mol
Exact Mass376.09
IUPAC Name2-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(F)(F)F)c(C(=O)Nc2ccsc2C(C)CC(C)C)s1
InChIInChI=1S/C16H19F3N2OS2/c1-8(2)7-9(3)12-11(5-6-23-12)21-15(22)13-14(16(17,18)19)20-10(4)24-13/h5-6,8-9H,7H2,1-4H3,(H,21,22)
InChIKeyVOQGNXPXIGANEG-UHFFFAOYSA-N
XLogP5.93
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.47
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 59683027) is 2-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is Cc1nc(C(F)(F)F)c(C(=O)Nc2ccsc2C(C)CC(C)C)s1.
What is the InChIKey of 2-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is VOQGNXPXIGANEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2OS2/c1-8(2)7-9(3)12-11(5-6-23-12)21-15(22)13-14(16(17,18)19)20-10(4)24-13/h5-6,8-9H,7H2,1-4H3,(H,21,22).
What are the key properties of 2-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
2-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 376.47 g/mol, XLogP of 5.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59683027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).