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

C13H22N2O2S — CID 86783509

IUPACN-(1-hydroxybutan-2-yl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide
SMILESCCC(CO)NC(=O)c1sc(C)nc1CC(C)C
InChIInChI=1S/C13H22N2O2S/c1-5-10(7-16)15-13(17)12-11(6-8(2)3)14-9(4)18-12/h8,10,16H,5-7H2,1-4H3,(H,15,17)
InChIKeyOJFUYAHCADTTCA-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.15
Rot. Bonds6

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

N-(1-hydroxybutan-2-yl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide (PubChem CID 86783509) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide
PubChem CID86783509
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-(1-hydroxybutan-2-yl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide
SMILESCCC(CO)NC(=O)c1sc(C)nc1CC(C)C
InChIInChI=1S/C13H22N2O2S/c1-5-10(7-16)15-13(17)12-11(6-8(2)3)14-9(4)18-12/h8,10,16H,5-7H2,1-4H3,(H,15,17)
InChIKeyOJFUYAHCADTTCA-UHFFFAOYSA-N
XLogP2.15
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.15
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)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide (CID 86783509) is N-(1-hydroxybutan-2-yl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide is CCC(CO)NC(=O)c1sc(C)nc1CC(C)C.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The InChIKey is OJFUYAHCADTTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-5-10(7-16)15-13(17)12-11(6-8(2)3)14-9(4)18-12/h8,10,16H,5-7H2,1-4H3,(H,15,17).
What are the key properties of N-(1-hydroxybutan-2-yl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
N-(1-hydroxybutan-2-yl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide has a molecular weight of 270.40 g/mol, XLogP of 2.15, 6 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)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 86783509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).