2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propylacetamide

C9H14N2O2S — CID 60656424

IUPAC2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1c(C)csc1=O
InChIInChI=1S/C9H14N2O2S/c1-3-4-10-8(12)5-11-7(2)6-14-9(11)13/h6H,3-5H2,1-2H3,(H,10,12)
InChIKeyNFQDQVXCFBYIQH-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.74
Rot. Bonds4

About 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propylacetamide

2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propylacetamide (PubChem CID 60656424) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propylacetamide
PubChem CID60656424
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1c(C)csc1=O
InChIInChI=1S/C9H14N2O2S/c1-3-4-10-8(12)5-11-7(2)6-14-9(11)13/h6H,3-5H2,1-2H3,(H,10,12)
InChIKeyNFQDQVXCFBYIQH-UHFFFAOYSA-N
XLogP0.74
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propylacetamide?
The IUPAC name of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propylacetamide (CID 60656424) is 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propylacetamide.
What is the SMILES notation for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propylacetamide?
The canonical SMILES for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propylacetamide is CCCNC(=O)Cn1c(C)csc1=O.
What is the InChIKey of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propylacetamide?
The InChIKey is NFQDQVXCFBYIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-3-4-10-8(12)5-11-7(2)6-14-9(11)13/h6H,3-5H2,1-2H3,(H,10,12).
What are the key properties of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propylacetamide?
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propylacetamide has a molecular weight of 214.29 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propylacetamide is sourced from PubChem (CID 60656424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).