3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(3-hydroxybutyl)propanamide

C12H20N2O3S — CID 111433631

IUPAC3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(3-hydroxybutyl)propanamide
SMILESCc1sc(=O)n(CCC(=O)NCCC(C)O)c1C
InChIInChI=1S/C12H20N2O3S/c1-8(15)4-6-13-11(16)5-7-14-9(2)10(3)18-12(14)17/h8,15H,4-7H2,1-3H3,(H,13,16)
InChIKeyBCBYEOSYHVQMKG-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.80
Rot. Bonds6

About 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(3-hydroxybutyl)propanamide

3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(3-hydroxybutyl)propanamide (PubChem CID 111433631) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(3-hydroxybutyl)propanamide.

Molecular Properties

Compound Name3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(3-hydroxybutyl)propanamide
PubChem CID111433631
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(3-hydroxybutyl)propanamide
SMILESCc1sc(=O)n(CCC(=O)NCCC(C)O)c1C
InChIInChI=1S/C12H20N2O3S/c1-8(15)4-6-13-11(16)5-7-14-9(2)10(3)18-12(14)17/h8,15H,4-7H2,1-3H3,(H,13,16)
InChIKeyBCBYEOSYHVQMKG-UHFFFAOYSA-N
XLogP0.80
TPSA71.33 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 ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(3-hydroxybutyl)propanamide?
The IUPAC name of 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(3-hydroxybutyl)propanamide (CID 111433631) is 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(3-hydroxybutyl)propanamide.
What is the SMILES notation for 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(3-hydroxybutyl)propanamide?
The canonical SMILES for 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(3-hydroxybutyl)propanamide is Cc1sc(=O)n(CCC(=O)NCCC(C)O)c1C.
What is the InChIKey of 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(3-hydroxybutyl)propanamide?
The InChIKey is BCBYEOSYHVQMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-8(15)4-6-13-11(16)5-7-14-9(2)10(3)18-12(14)17/h8,15H,4-7H2,1-3H3,(H,13,16).
What are the key properties of 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(3-hydroxybutyl)propanamide?
3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(3-hydroxybutyl)propanamide has a molecular weight of 272.37 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(3-hydroxybutyl)propanamide is sourced from PubChem (CID 111433631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).