4-methyl-3-(2-oxopentyl)-1,3-thiazol-2-one

C9H13NO2S — CID 62044464

IUPAC4-methyl-3-(2-oxopentyl)-1,3-thiazol-2-one
SMILESCCCC(=O)Cn1c(C)csc1=O
InChIInChI=1S/C9H13NO2S/c1-3-4-8(11)5-10-7(2)6-13-9(10)12/h6H,3-5H2,1-2H3
InChIKeyUMEGSQQQHLDPEF-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.59
Rot. Bonds4

About 4-methyl-3-(2-oxopentyl)-1,3-thiazol-2-one

4-methyl-3-(2-oxopentyl)-1,3-thiazol-2-one (PubChem CID 62044464) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is 4-methyl-3-(2-oxopentyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-methyl-3-(2-oxopentyl)-1,3-thiazol-2-one
PubChem CID62044464
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Name4-methyl-3-(2-oxopentyl)-1,3-thiazol-2-one
SMILESCCCC(=O)Cn1c(C)csc1=O
InChIInChI=1S/C9H13NO2S/c1-3-4-8(11)5-10-7(2)6-13-9(10)12/h6H,3-5H2,1-2H3
InChIKeyUMEGSQQQHLDPEF-UHFFFAOYSA-N
XLogP1.59
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2-oxopentyl)-1,3-thiazol-2-one?
The IUPAC name of 4-methyl-3-(2-oxopentyl)-1,3-thiazol-2-one (CID 62044464) is 4-methyl-3-(2-oxopentyl)-1,3-thiazol-2-one.
What is the SMILES notation for 4-methyl-3-(2-oxopentyl)-1,3-thiazol-2-one?
The canonical SMILES for 4-methyl-3-(2-oxopentyl)-1,3-thiazol-2-one is CCCC(=O)Cn1c(C)csc1=O.
What is the InChIKey of 4-methyl-3-(2-oxopentyl)-1,3-thiazol-2-one?
The InChIKey is UMEGSQQQHLDPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-3-4-8(11)5-10-7(2)6-13-9(10)12/h6H,3-5H2,1-2H3.
What are the key properties of 4-methyl-3-(2-oxopentyl)-1,3-thiazol-2-one?
4-methyl-3-(2-oxopentyl)-1,3-thiazol-2-one has a molecular weight of 199.27 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2-oxopentyl)-1,3-thiazol-2-one is sourced from PubChem (CID 62044464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).