N-(1-hydroxy-4-methoxybutan-2-yl)-5-(trifluoromethyl)-1,3-thiazole-2-carboxamide

C10H13F3N2O3S — CID 154772118

IUPACN-(1-hydroxy-4-methoxybutan-2-yl)-5-(trifluoromethyl)-1,3-thiazole-2-carboxamide
SMILESCOCCC(CO)NC(=O)c1ncc(C(F)(F)F)s1
InChIInChI=1S/C10H13F3N2O3S/c1-18-3-2-6(5-16)15-8(17)9-14-4-7(19-9)10(11,12)13/h4,6,16H,2-3,5H2,1H3,(H,15,17)
InChIKeyACLQFOHFYXJAMW-UHFFFAOYSA-N
MW298.29 g/mol
LogP1.29
Rot. Bonds6

About N-(1-hydroxy-4-methoxybutan-2-yl)-5-(trifluoromethyl)-1,3-thiazole-2-carboxamide

N-(1-hydroxy-4-methoxybutan-2-yl)-5-(trifluoromethyl)-1,3-thiazole-2-carboxamide (PubChem CID 154772118) has the molecular formula C10H13F3N2O3S and a molecular weight of 298.29 g/mol. Its IUPAC name is N-(1-hydroxy-4-methoxybutan-2-yl)-5-(trifluoromethyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methoxybutan-2-yl)-5-(trifluoromethyl)-1,3-thiazole-2-carboxamide
PubChem CID154772118
Molecular FormulaC10H13F3N2O3S
Molecular Weight298.29 g/mol
Exact Mass298.06
IUPAC NameN-(1-hydroxy-4-methoxybutan-2-yl)-5-(trifluoromethyl)-1,3-thiazole-2-carboxamide
SMILESCOCCC(CO)NC(=O)c1ncc(C(F)(F)F)s1
InChIInChI=1S/C10H13F3N2O3S/c1-18-3-2-6(5-16)15-8(17)9-14-4-7(19-9)10(11,12)13/h4,6,16H,2-3,5H2,1H3,(H,15,17)
InChIKeyACLQFOHFYXJAMW-UHFFFAOYSA-N
XLogP1.29
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methoxybutan-2-yl)-5-(trifluoromethyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of N-(1-hydroxy-4-methoxybutan-2-yl)-5-(trifluoromethyl)-1,3-thiazole-2-carboxamide (CID 154772118) is N-(1-hydroxy-4-methoxybutan-2-yl)-5-(trifluoromethyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-(1-hydroxy-4-methoxybutan-2-yl)-5-(trifluoromethyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-(1-hydroxy-4-methoxybutan-2-yl)-5-(trifluoromethyl)-1,3-thiazole-2-carboxamide is COCCC(CO)NC(=O)c1ncc(C(F)(F)F)s1.
What is the InChIKey of N-(1-hydroxy-4-methoxybutan-2-yl)-5-(trifluoromethyl)-1,3-thiazole-2-carboxamide?
The InChIKey is ACLQFOHFYXJAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O3S/c1-18-3-2-6(5-16)15-8(17)9-14-4-7(19-9)10(11,12)13/h4,6,16H,2-3,5H2,1H3,(H,15,17).
What are the key properties of N-(1-hydroxy-4-methoxybutan-2-yl)-5-(trifluoromethyl)-1,3-thiazole-2-carboxamide?
N-(1-hydroxy-4-methoxybutan-2-yl)-5-(trifluoromethyl)-1,3-thiazole-2-carboxamide has a molecular weight of 298.29 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methoxybutan-2-yl)-5-(trifluoromethyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 154772118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).