N-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide

C11H17N3O3S — CID 108530022

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
SMILESCc1nc(NC(=O)C(=O)NC(C)(C)CO)sc1C
InChIInChI=1S/C11H17N3O3S/c1-6-7(2)18-10(12-6)13-8(16)9(17)14-11(3,4)5-15/h15H,5H2,1-4H3,(H,14,17)(H,12,13,16)
InChIKeyDKOCUVCTPKLEFX-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.59
Rot. Bonds3

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide (PubChem CID 108530022) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
PubChem CID108530022
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
SMILESCc1nc(NC(=O)C(=O)NC(C)(C)CO)sc1C
InChIInChI=1S/C11H17N3O3S/c1-6-7(2)18-10(12-6)13-8(16)9(17)14-11(3,4)5-15/h15H,5H2,1-4H3,(H,14,17)(H,12,13,16)
InChIKeyDKOCUVCTPKLEFX-UHFFFAOYSA-N
XLogP0.59
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide (CID 108530022) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide is Cc1nc(NC(=O)C(=O)NC(C)(C)CO)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide?
The InChIKey is DKOCUVCTPKLEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-6-7(2)18-10(12-6)13-8(16)9(17)14-11(3,4)5-15/h15H,5H2,1-4H3,(H,14,17)(H,12,13,16).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide has a molecular weight of 271.34 g/mol, XLogP of 0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide is sourced from PubChem (CID 108530022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).