2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methylacetamide

C13H22N2O3S — CID 75518807

IUPAC2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methylacetamide
SMILESCc1nc(CC(=O)N(C)CC(C)(CO)CO)c(C)s1
InChIInChI=1S/C13H22N2O3S/c1-9-11(14-10(2)19-9)5-12(18)15(4)6-13(3,7-16)8-17/h16-17H,5-8H2,1-4H3
InChIKeyXACNPVCSBBEFQS-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.75
Rot. Bonds6

About 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methylacetamide

2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methylacetamide (PubChem CID 75518807) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methylacetamide
PubChem CID75518807
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methylacetamide
SMILESCc1nc(CC(=O)N(C)CC(C)(CO)CO)c(C)s1
InChIInChI=1S/C13H22N2O3S/c1-9-11(14-10(2)19-9)5-12(18)15(4)6-13(3,7-16)8-17/h16-17H,5-8H2,1-4H3
InChIKeyXACNPVCSBBEFQS-UHFFFAOYSA-N
XLogP0.75
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methylacetamide?
The IUPAC name of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methylacetamide (CID 75518807) is 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methylacetamide.
What is the SMILES notation for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methylacetamide?
The canonical SMILES for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methylacetamide is Cc1nc(CC(=O)N(C)CC(C)(CO)CO)c(C)s1.
What is the InChIKey of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methylacetamide?
The InChIKey is XACNPVCSBBEFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-9-11(14-10(2)19-9)5-12(18)15(4)6-13(3,7-16)8-17/h16-17H,5-8H2,1-4H3.
What are the key properties of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methylacetamide?
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methylacetamide has a molecular weight of 286.40 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methylacetamide is sourced from PubChem (CID 75518807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).