3-cyclopropyl-4,5-diethyl-1,3-thiazol-2-one;ethane

C12H21NOS — CID 144510954

IUPAC3-cyclopropyl-4,5-diethyl-1,3-thiazol-2-one;ethane
SMILESCC.CCc1sc(=O)n(C2CC2)c1CC
InChIInChI=1S/C10H15NOS.C2H6/c1-3-8-9(4-2)13-10(12)11(8)7-5-6-7;1-2/h7H,3-6H2,1-2H3;1-2H3
InChIKeySGAICODYEIMZRM-UHFFFAOYSA-N
MW227.37 g/mol
LogP3.40
Rot. Bonds3

About 3-cyclopropyl-4,5-diethyl-1,3-thiazol-2-one;ethane

3-cyclopropyl-4,5-diethyl-1,3-thiazol-2-one;ethane (PubChem CID 144510954) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 3-cyclopropyl-4,5-diethyl-1,3-thiazol-2-one;ethane.

Molecular Properties

Compound Name3-cyclopropyl-4,5-diethyl-1,3-thiazol-2-one;ethane
PubChem CID144510954
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name3-cyclopropyl-4,5-diethyl-1,3-thiazol-2-one;ethane
SMILESCC.CCc1sc(=O)n(C2CC2)c1CC
InChIInChI=1S/C10H15NOS.C2H6/c1-3-8-9(4-2)13-10(12)11(8)7-5-6-7;1-2/h7H,3-6H2,1-2H3;1-2H3
InChIKeySGAICODYEIMZRM-UHFFFAOYSA-N
XLogP3.40
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,11-dicyclopropyl-2,8-dithia-5,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-4,6,10,12-tetrone
CID 67136304
1-cyclopropylaziridine-2,3-dione
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4-bromo-1-cyclopropyl-5-ethylpyrrole-2-carbaldehyde
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1-cyclopropyl-5-ethyl-4-methylimidazole-2-carboxylic acid
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4-cyclopropyl-3-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one
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1-cyclopropyl-5-ethylpyrrole-2-carbaldehyde
CID 100588441
8-(bromomethyl)-1-cyclopropyl-2-ethyl-6,7-difluoro-4-oxoquinoline-3-carboxylic acid
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1-cyclopropyl-2-ethyl-6,7,8-trifluoro-4-oxoquinoline-3-carboxylic acid
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3-cyclopropyl-6-ethyl-1H-benzimidazol-2-one
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3-[2-(bromomethyl)-3,3-dimethylbutyl]sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one
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4-cyclopropyl-2-ethyl-5-methylsulfanyl-1,2,4-triazol-3-one
CID 20731869

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4,5-diethyl-1,3-thiazol-2-one;ethane?
The IUPAC name of 3-cyclopropyl-4,5-diethyl-1,3-thiazol-2-one;ethane (CID 144510954) is 3-cyclopropyl-4,5-diethyl-1,3-thiazol-2-one;ethane.
What is the SMILES notation for 3-cyclopropyl-4,5-diethyl-1,3-thiazol-2-one;ethane?
The canonical SMILES for 3-cyclopropyl-4,5-diethyl-1,3-thiazol-2-one;ethane is CC.CCc1sc(=O)n(C2CC2)c1CC.
What is the InChIKey of 3-cyclopropyl-4,5-diethyl-1,3-thiazol-2-one;ethane?
The InChIKey is SGAICODYEIMZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS.C2H6/c1-3-8-9(4-2)13-10(12)11(8)7-5-6-7;1-2/h7H,3-6H2,1-2H3;1-2H3.
What are the key properties of 3-cyclopropyl-4,5-diethyl-1,3-thiazol-2-one;ethane?
3-cyclopropyl-4,5-diethyl-1,3-thiazol-2-one;ethane has a molecular weight of 227.37 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4,5-diethyl-1,3-thiazol-2-one;ethane is sourced from PubChem (CID 144510954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).