3,5-dimethyl-1,2-thiazole;ethane;1-methylpyrrolidin-2-one

C12H22N2OS — CID 168901457

IUPAC3,5-dimethyl-1,2-thiazole;ethane;1-methylpyrrolidin-2-one
SMILESCC.CN1CCCC1=O.Cc1cc(C)sn1
InChIInChI=1S/C5H9NO.C5H7NS.C2H6/c1-6-4-2-3-5(6)7;1-4-3-5(2)7-6-4;1-2/h2-4H2,1H3;3H,1-2H3;1-2H3
InChIKeySKYXWEWHDQISRJ-UHFFFAOYSA-N
MW242.39 g/mol
LogP3.02
Rot. Bonds

About 3,5-dimethyl-1,2-thiazole;ethane;1-methylpyrrolidin-2-one

3,5-dimethyl-1,2-thiazole;ethane;1-methylpyrrolidin-2-one (PubChem CID 168901457) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 3,5-dimethyl-1,2-thiazole;ethane;1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3,5-dimethyl-1,2-thiazole;ethane;1-methylpyrrolidin-2-one
PubChem CID168901457
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name3,5-dimethyl-1,2-thiazole;ethane;1-methylpyrrolidin-2-one
SMILESCC.CN1CCCC1=O.Cc1cc(C)sn1
InChIInChI=1S/C5H9NO.C5H7NS.C2H6/c1-6-4-2-3-5(6)7;1-4-3-5(2)7-6-4;1-2/h2-4H2,1H3;3H,1-2H3;1-2H3
InChIKeySKYXWEWHDQISRJ-UHFFFAOYSA-N
XLogP3.02
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methanethiol;1-methylpyrrolidin-2-one
CID 174894965
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ethane;methane;1-methylpyrrolidine;1-methylpyrrolidin-2-one
CID 161083681
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CID 174856842
CID 174856842
1-methylpyrrolidin-2-one;urea
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1-methylpiperidine;1-methylpyrrolidin-2-one
CID 18416662
ethane-1,2-diamine;1-methylpyrrolidin-2-one
CID 158124150
1-methylpyrrolidin-2-one;prop-2-enenitrile
CID 175577186
1-methylpyrrolidin-2-one;nickel(2+);dinitrate
CID 175425865
ethane;1-methylpiperidine-2,6-dione;1-methylpiperidin-2-one
CID 142822980
4,5-dihydro-1H-imidazole;1-methylpyrrolidin-2-one
CID 158110382

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1,2-thiazole;ethane;1-methylpyrrolidin-2-one?
The IUPAC name of 3,5-dimethyl-1,2-thiazole;ethane;1-methylpyrrolidin-2-one (CID 168901457) is 3,5-dimethyl-1,2-thiazole;ethane;1-methylpyrrolidin-2-one.
What is the SMILES notation for 3,5-dimethyl-1,2-thiazole;ethane;1-methylpyrrolidin-2-one?
The canonical SMILES for 3,5-dimethyl-1,2-thiazole;ethane;1-methylpyrrolidin-2-one is CC.CN1CCCC1=O.Cc1cc(C)sn1.
What is the InChIKey of 3,5-dimethyl-1,2-thiazole;ethane;1-methylpyrrolidin-2-one?
The InChIKey is SKYXWEWHDQISRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.C5H7NS.C2H6/c1-6-4-2-3-5(6)7;1-4-3-5(2)7-6-4;1-2/h2-4H2,1H3;3H,1-2H3;1-2H3.
What are the key properties of 3,5-dimethyl-1,2-thiazole;ethane;1-methylpyrrolidin-2-one?
3,5-dimethyl-1,2-thiazole;ethane;1-methylpyrrolidin-2-one has a molecular weight of 242.39 g/mol, XLogP of 3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1,2-thiazole;ethane;1-methylpyrrolidin-2-one is sourced from PubChem (CID 168901457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).