N-(3-hydroxypropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylacetamide

C12H20N2O3S — CID 54916428

IUPACN-(3-hydroxypropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylacetamide
SMILESCc1csc(=O)n1CC(=O)N(CCCO)C(C)C
InChIInChI=1S/C12H20N2O3S/c1-9(2)13(5-4-6-15)11(16)7-14-10(3)8-18-12(14)17/h8-9,15H,4-7H2,1-3H3
InChIKeyLOOMSHGXLLJLMZ-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.84
Rot. Bonds6

About N-(3-hydroxypropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylacetamide

N-(3-hydroxypropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylacetamide (PubChem CID 54916428) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylacetamide
PubChem CID54916428
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC NameN-(3-hydroxypropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylacetamide
SMILESCc1csc(=O)n1CC(=O)N(CCCO)C(C)C
InChIInChI=1S/C12H20N2O3S/c1-9(2)13(5-4-6-15)11(16)7-14-10(3)8-18-12(14)17/h8-9,15H,4-7H2,1-3H3
InChIKeyLOOMSHGXLLJLMZ-UHFFFAOYSA-N
XLogP0.84
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylacetamide?
The IUPAC name of N-(3-hydroxypropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylacetamide (CID 54916428) is N-(3-hydroxypropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-(3-hydroxypropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylacetamide?
The canonical SMILES for N-(3-hydroxypropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylacetamide is Cc1csc(=O)n1CC(=O)N(CCCO)C(C)C.
What is the InChIKey of N-(3-hydroxypropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylacetamide?
The InChIKey is LOOMSHGXLLJLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-9(2)13(5-4-6-15)11(16)7-14-10(3)8-18-12(14)17/h8-9,15H,4-7H2,1-3H3.
What are the key properties of N-(3-hydroxypropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylacetamide?
N-(3-hydroxypropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylacetamide has a molecular weight of 272.37 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 54916428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).