2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-1-pyrrolidin-1-ylethanone

C11H16N2OS2 — CID 110848615

IUPAC2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-1-pyrrolidin-1-ylethanone
SMILESCSc1nc(C)c(CC(=O)N2CCCC2)s1
InChIInChI=1S/C11H16N2OS2/c1-8-9(16-11(12-8)15-2)7-10(14)13-5-3-4-6-13/h3-7H2,1-2H3
InChIKeyHYHLOJSFFCBBLK-UHFFFAOYSA-N
MW256.40 g/mol
LogP2.34
Rot. Bonds3

About 2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-1-pyrrolidin-1-ylethanone

2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-1-pyrrolidin-1-ylethanone (PubChem CID 110848615) has the molecular formula C11H16N2OS2 and a molecular weight of 256.40 g/mol. Its IUPAC name is 2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-1-pyrrolidin-1-ylethanone
PubChem CID110848615
Molecular FormulaC11H16N2OS2
Molecular Weight256.40 g/mol
Exact Mass256.07
IUPAC Name2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-1-pyrrolidin-1-ylethanone
SMILESCSc1nc(C)c(CC(=O)N2CCCC2)s1
InChIInChI=1S/C11H16N2OS2/c1-8-9(16-11(12-8)15-2)7-10(14)13-5-3-4-6-13/h3-7H2,1-2H3
InChIKeyHYHLOJSFFCBBLK-UHFFFAOYSA-N
XLogP2.34
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.40
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110849075
2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1-piperidin-1-ylethanone
CID 110328829
1-(azepan-1-yl)-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethanone
CID 110328975
4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]piperazine-1-carbaldehyde
CID 110328771
2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-1-morpholin-4-ylethanone
CID 110329331
2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-1-pyrrolidin-1-ylethanone
CID 47128479
5-(chloromethyl)-4-methyl-2-methylsulfanyl-1,3-thiazole;hydrochloride
CID 20980512
2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 110368132
1-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone
CID 110368119
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
CID 24703937
2-[2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide
CID 46699831
2-[2-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide
CID 100842423

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-1-pyrrolidin-1-ylethanone (CID 110848615) is 2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-1-pyrrolidin-1-ylethanone is CSc1nc(C)c(CC(=O)N2CCCC2)s1.
What is the InChIKey of 2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-1-pyrrolidin-1-ylethanone?
The InChIKey is HYHLOJSFFCBBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS2/c1-8-9(16-11(12-8)15-2)7-10(14)13-5-3-4-6-13/h3-7H2,1-2H3.
What are the key properties of 2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-1-pyrrolidin-1-ylethanone?
2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-1-pyrrolidin-1-ylethanone has a molecular weight of 256.40 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 110848615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).