N-(1-hydroxy-2-methylbutan-2-yl)-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide

C12H20N2O3S — CID 86786740

IUPACN-(1-hydroxy-2-methylbutan-2-yl)-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCC(C)(CO)NC(=O)c1sc(COC)nc1C
InChIInChI=1S/C12H20N2O3S/c1-5-12(3,7-15)14-11(16)10-8(2)13-9(18-10)6-17-4/h15H,5-7H2,1-4H3,(H,14,16)
InChIKeyGPFQOSZRDDOFAW-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.49
Rot. Bonds6

About N-(1-hydroxy-2-methylbutan-2-yl)-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide

N-(1-hydroxy-2-methylbutan-2-yl)-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 86786740) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylbutan-2-yl)-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylbutan-2-yl)-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID86786740
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC NameN-(1-hydroxy-2-methylbutan-2-yl)-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCC(C)(CO)NC(=O)c1sc(COC)nc1C
InChIInChI=1S/C12H20N2O3S/c1-5-12(3,7-15)14-11(16)10-8(2)13-9(18-10)6-17-4/h15H,5-7H2,1-4H3,(H,14,16)
InChIKeyGPFQOSZRDDOFAW-UHFFFAOYSA-N
XLogP1.49
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 86786740) is N-(1-hydroxy-2-methylbutan-2-yl)-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylbutan-2-yl)-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylbutan-2-yl)-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide is CCC(C)(CO)NC(=O)c1sc(COC)nc1C.
What is the InChIKey of N-(1-hydroxy-2-methylbutan-2-yl)-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is GPFQOSZRDDOFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-5-12(3,7-15)14-11(16)10-8(2)13-9(18-10)6-17-4/h15H,5-7H2,1-4H3,(H,14,16).
What are the key properties of N-(1-hydroxy-2-methylbutan-2-yl)-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide?
N-(1-hydroxy-2-methylbutan-2-yl)-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 272.37 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylbutan-2-yl)-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 86786740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).