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

C12H12F3N3OS2 — CID 71985953

IUPAC2-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,3-thiazole-5-carboxamide
SMILESCCC(NC(=O)c1cnc(C)s1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C12H12F3N3OS2/c1-3-7(11-18-9(5-20-11)12(13,14)15)17-10(19)8-4-16-6(2)21-8/h4-5,7H,3H2,1-2H3,(H,17,19)
InChIKeyLIYOQSRHYVNDKG-UHFFFAOYSA-N
MW335.38 g/mol
LogP3.81
Rot. Bonds4

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

2-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,3-thiazole-5-carboxamide (PubChem CID 71985953) has the molecular formula C12H12F3N3OS2 and a molecular weight of 335.38 g/mol. Its IUPAC name is 2-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,3-thiazole-5-carboxamide
PubChem CID71985953
Molecular FormulaC12H12F3N3OS2
Molecular Weight335.38 g/mol
Exact Mass335.04
IUPAC Name2-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,3-thiazole-5-carboxamide
SMILESCCC(NC(=O)c1cnc(C)s1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C12H12F3N3OS2/c1-3-7(11-18-9(5-20-11)12(13,14)15)17-10(19)8-4-16-6(2)21-8/h4-5,7H,3H2,1-2H3,(H,17,19)
InChIKeyLIYOQSRHYVNDKG-UHFFFAOYSA-N
XLogP3.81
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,3-thiazole-5-carboxamide (CID 71985953) is 2-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,3-thiazole-5-carboxamide is CCC(NC(=O)c1cnc(C)s1)c1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,3-thiazole-5-carboxamide?
The InChIKey is LIYOQSRHYVNDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3OS2/c1-3-7(11-18-9(5-20-11)12(13,14)15)17-10(19)8-4-16-6(2)21-8/h4-5,7H,3H2,1-2H3,(H,17,19).
What are the key properties of 2-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,3-thiazole-5-carboxamide?
2-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,3-thiazole-5-carboxamide has a molecular weight of 335.38 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71985953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).