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

C9H11F3N2O2S — CID 84557846

IUPACN-(1-hydroxybutan-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCCC(CO)NC(=O)c1scnc1C(F)(F)F
InChIInChI=1S/C9H11F3N2O2S/c1-2-5(3-15)14-8(16)6-7(9(10,11)12)13-4-17-6/h4-5,15H,2-3H2,1H3,(H,14,16)
InChIKeyDBABIMORCLBRAV-UHFFFAOYSA-N
MW268.26 g/mol
LogP1.66
Rot. Bonds4

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

N-(1-hydroxybutan-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 84557846) has the molecular formula C9H11F3N2O2S and a molecular weight of 268.26 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID84557846
Molecular FormulaC9H11F3N2O2S
Molecular Weight268.26 g/mol
Exact Mass268.05
IUPAC NameN-(1-hydroxybutan-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCCC(CO)NC(=O)c1scnc1C(F)(F)F
InChIInChI=1S/C9H11F3N2O2S/c1-2-5(3-15)14-8(16)6-7(9(10,11)12)13-4-17-6/h4-5,15H,2-3H2,1H3,(H,14,16)
InChIKeyDBABIMORCLBRAV-UHFFFAOYSA-N
XLogP1.66
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 84557846) is N-(1-hydroxybutan-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is CCC(CO)NC(=O)c1scnc1C(F)(F)F.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is DBABIMORCLBRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2S/c1-2-5(3-15)14-8(16)6-7(9(10,11)12)13-4-17-6/h4-5,15H,2-3H2,1H3,(H,14,16).
What are the key properties of N-(1-hydroxybutan-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
N-(1-hydroxybutan-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 268.26 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 84557846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).