2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylpyrrolidin-3-yl)ethanone

C13H20N2OS — CID 116570281

IUPAC2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylpyrrolidin-3-yl)ethanone
SMILESCCC1(C(=O)Cc2nc(C)c(C)s2)CCNC1
InChIInChI=1S/C13H20N2OS/c1-4-13(5-6-14-8-13)11(16)7-12-15-9(2)10(3)17-12/h14H,4-8H2,1-3H3
InChIKeyAPVJMQZIIQXMKV-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.26
Rot. Bonds4

About 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylpyrrolidin-3-yl)ethanone

2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylpyrrolidin-3-yl)ethanone (PubChem CID 116570281) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylpyrrolidin-3-yl)ethanone.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylpyrrolidin-3-yl)ethanone
PubChem CID116570281
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylpyrrolidin-3-yl)ethanone
SMILESCCC1(C(=O)Cc2nc(C)c(C)s2)CCNC1
InChIInChI=1S/C13H20N2OS/c1-4-13(5-6-14-8-13)11(16)7-12-15-9(2)10(3)17-12/h14H,4-8H2,1-3H3
InChIKeyAPVJMQZIIQXMKV-UHFFFAOYSA-N
XLogP2.26
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethylpiperidin-4-yl)ethanone
CID 116568033
2-(1,3-benzothiazol-2-yl)-1-(3-ethylpiperidin-3-yl)ethanone
CID 116568641
1-(4,5-dimethyl-1,3-thiazol-2-yl)butan-2-one
CID 65168475
1-(3-ethylpyrrolidin-3-yl)-2-thiophen-3-ylethanone
CID 116570374
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone
CID 116750268
1-(4-ethylpiperidin-4-yl)-2-(1,3-thiazol-2-yl)ethanone
CID 116568006
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-methoxycyclobutyl)propan-2-one
CID 103558913
2-(2-chlorophenyl)-1-(3-ethylpyrrolidin-3-yl)ethanone
CID 116570367
1-(3-ethylpyrrolidin-3-yl)nonan-1-one
CID 116570178
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethylbutan-2-one
CID 65168530
1-(3-ethylpyrrolidin-3-yl)pent-4-yn-1-one
CID 116570384
1-(1-ethylcyclopentyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 115789251

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylpyrrolidin-3-yl)ethanone?
The IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylpyrrolidin-3-yl)ethanone (CID 116570281) is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylpyrrolidin-3-yl)ethanone.
What is the SMILES notation for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylpyrrolidin-3-yl)ethanone?
The canonical SMILES for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylpyrrolidin-3-yl)ethanone is CCC1(C(=O)Cc2nc(C)c(C)s2)CCNC1.
What is the InChIKey of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylpyrrolidin-3-yl)ethanone?
The InChIKey is APVJMQZIIQXMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-4-13(5-6-14-8-13)11(16)7-12-15-9(2)10(3)17-12/h14H,4-8H2,1-3H3.
What are the key properties of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylpyrrolidin-3-yl)ethanone?
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylpyrrolidin-3-yl)ethanone has a molecular weight of 252.38 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylpyrrolidin-3-yl)ethanone is sourced from PubChem (CID 116570281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).