3-[2-[3-(cyclopropanecarbonyl)imidazolidin-1-yl]-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one

C14H19N3O3S — CID 154783210

IUPAC3-[2-[3-(cyclopropanecarbonyl)imidazolidin-1-yl]-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(CC(=O)N2CCN(C(=O)C3CC3)C2)c1C
InChIInChI=1S/C14H19N3O3S/c1-9-10(2)21-14(20)17(9)7-12(18)15-5-6-16(8-15)13(19)11-3-4-11/h11H,3-8H2,1-2H3
InChIKeyNMKLQORBQDBLTL-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.56
Rot. Bonds3

About 3-[2-[3-(cyclopropanecarbonyl)imidazolidin-1-yl]-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one

3-[2-[3-(cyclopropanecarbonyl)imidazolidin-1-yl]-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one (PubChem CID 154783210) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 3-[2-[3-(cyclopropanecarbonyl)imidazolidin-1-yl]-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-[3-(cyclopropanecarbonyl)imidazolidin-1-yl]-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one
PubChem CID154783210
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name3-[2-[3-(cyclopropanecarbonyl)imidazolidin-1-yl]-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(CC(=O)N2CCN(C(=O)C3CC3)C2)c1C
InChIInChI=1S/C14H19N3O3S/c1-9-10(2)21-14(20)17(9)7-12(18)15-5-6-16(8-15)13(19)11-3-4-11/h11H,3-8H2,1-2H3
InChIKeyNMKLQORBQDBLTL-UHFFFAOYSA-N
XLogP0.56
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(cyclopropanecarbonyl)imidazolidin-1-yl]-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one?
The IUPAC name of 3-[2-[3-(cyclopropanecarbonyl)imidazolidin-1-yl]-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one (CID 154783210) is 3-[2-[3-(cyclopropanecarbonyl)imidazolidin-1-yl]-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-[3-(cyclopropanecarbonyl)imidazolidin-1-yl]-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-[3-(cyclopropanecarbonyl)imidazolidin-1-yl]-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one is Cc1sc(=O)n(CC(=O)N2CCN(C(=O)C3CC3)C2)c1C.
What is the InChIKey of 3-[2-[3-(cyclopropanecarbonyl)imidazolidin-1-yl]-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one?
The InChIKey is NMKLQORBQDBLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-9-10(2)21-14(20)17(9)7-12(18)15-5-6-16(8-15)13(19)11-3-4-11/h11H,3-8H2,1-2H3.
What are the key properties of 3-[2-[3-(cyclopropanecarbonyl)imidazolidin-1-yl]-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one?
3-[2-[3-(cyclopropanecarbonyl)imidazolidin-1-yl]-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one has a molecular weight of 309.39 g/mol, XLogP of 0.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(cyclopropanecarbonyl)imidazolidin-1-yl]-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one is sourced from PubChem (CID 154783210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).