4-methyl-N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)-1,3-thiazole-5-carboxamide

C10H13F3N2O2S — CID 132970733

IUPAC4-methyl-N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)-1,3-thiazole-5-carboxamide
SMILESCCC(NC(=O)c1scnc1C)C(O)C(F)(F)F
InChIInChI=1S/C10H13F3N2O2S/c1-3-6(8(16)10(11,12)13)15-9(17)7-5(2)14-4-18-7/h4,6,8,16H,3H2,1-2H3,(H,15,17)
InChIKeyKBLLULFSXAUTGW-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.88
Rot. Bonds4

About 4-methyl-N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)-1,3-thiazole-5-carboxamide

4-methyl-N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)-1,3-thiazole-5-carboxamide (PubChem CID 132970733) has the molecular formula C10H13F3N2O2S and a molecular weight of 282.29 g/mol. Its IUPAC name is 4-methyl-N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)-1,3-thiazole-5-carboxamide
PubChem CID132970733
Molecular FormulaC10H13F3N2O2S
Molecular Weight282.29 g/mol
Exact Mass282.06
IUPAC Name4-methyl-N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)-1,3-thiazole-5-carboxamide
SMILESCCC(NC(=O)c1scnc1C)C(O)C(F)(F)F
InChIInChI=1S/C10H13F3N2O2S/c1-3-6(8(16)10(11,12)13)15-9(17)7-5(2)14-4-18-7/h4,6,8,16H,3H2,1-2H3,(H,15,17)
InChIKeyKBLLULFSXAUTGW-UHFFFAOYSA-N
XLogP1.88
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)-1,3-thiazole-5-carboxamide (CID 132970733) is 4-methyl-N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)-1,3-thiazole-5-carboxamide is CCC(NC(=O)c1scnc1C)C(O)C(F)(F)F.
What is the InChIKey of 4-methyl-N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is KBLLULFSXAUTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2S/c1-3-6(8(16)10(11,12)13)15-9(17)7-5(2)14-4-18-7/h4,6,8,16H,3H2,1-2H3,(H,15,17).
What are the key properties of 4-methyl-N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)-1,3-thiazole-5-carboxamide?
4-methyl-N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 282.29 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 132970733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).