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

C10H13F3N2O2S — CID 136518962

IUPAC2-methyl-N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)-1,3-thiazole-5-carboxamide
SMILESCCC(NC(=O)c1cnc(C)s1)C(O)C(F)(F)F
InChIInChI=1S/C10H13F3N2O2S/c1-3-6(8(16)10(11,12)13)15-9(17)7-4-14-5(2)18-7/h4,6,8,16H,3H2,1-2H3,(H,15,17)
InChIKeyLPMFYCKANYAMEA-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.88
Rot. Bonds4

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

2-methyl-N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)-1,3-thiazole-5-carboxamide (PubChem CID 136518962) has the molecular formula C10H13F3N2O2S and a molecular weight of 282.29 g/mol. Its IUPAC name is 2-methyl-N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)-1,3-thiazole-5-carboxamide
PubChem CID136518962
Molecular FormulaC10H13F3N2O2S
Molecular Weight282.29 g/mol
Exact Mass282.06
IUPAC Name2-methyl-N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)-1,3-thiazole-5-carboxamide
SMILESCCC(NC(=O)c1cnc(C)s1)C(O)C(F)(F)F
InChIInChI=1S/C10H13F3N2O2S/c1-3-6(8(16)10(11,12)13)15-9(17)7-4-14-5(2)18-7/h4,6,8,16H,3H2,1-2H3,(H,15,17)
InChIKeyLPMFYCKANYAMEA-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 2-methyl-N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-methyl-N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)-1,3-thiazole-5-carboxamide (CID 136518962) is 2-methyl-N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)-1,3-thiazole-5-carboxamide is CCC(NC(=O)c1cnc(C)s1)C(O)C(F)(F)F.
What is the InChIKey of 2-methyl-N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is LPMFYCKANYAMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2S/c1-3-6(8(16)10(11,12)13)15-9(17)7-4-14-5(2)18-7/h4,6,8,16H,3H2,1-2H3,(H,15,17).
What are the key properties of 2-methyl-N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)-1,3-thiazole-5-carboxamide?
2-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 2-methyl-N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 136518962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).