(3-methylpyrrolidin-1-yl)-(1,3-thiazolidin-3-yl)methanone

C9H16N2OS — CID 130679410

IUPAC(3-methylpyrrolidin-1-yl)-(1,3-thiazolidin-3-yl)methanone
SMILESCC1CCN(C(=O)N2CCSC2)C1
InChIInChI=1S/C9H16N2OS/c1-8-2-3-10(6-8)9(12)11-4-5-13-7-11/h8H,2-7H2,1H3
InChIKeyVTALTILYPCKGRU-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.45
Rot. Bonds

About (3-methylpyrrolidin-1-yl)-(1,3-thiazolidin-3-yl)methanone

(3-methylpyrrolidin-1-yl)-(1,3-thiazolidin-3-yl)methanone (PubChem CID 130679410) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is (3-methylpyrrolidin-1-yl)-(1,3-thiazolidin-3-yl)methanone.

Molecular Properties

Compound Name(3-methylpyrrolidin-1-yl)-(1,3-thiazolidin-3-yl)methanone
PubChem CID130679410
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name(3-methylpyrrolidin-1-yl)-(1,3-thiazolidin-3-yl)methanone
SMILESCC1CCN(C(=O)N2CCSC2)C1
InChIInChI=1S/C9H16N2OS/c1-8-2-3-10(6-8)9(12)11-4-5-13-7-11/h8H,2-7H2,1H3
InChIKeyVTALTILYPCKGRU-UHFFFAOYSA-N
XLogP1.45
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

azetidin-1-yl-(3-methylpyrrolidin-1-yl)methanone
CID 166738845
1-(4-methylpiperidine-1-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918481
1-(4-methylazepane-1-carbonyl)piperidine-3-carboxylic acid
CID 63627410
2-methyl-1-(3-methylpyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 79383271
ethane;[4-(4-methylcyclohexyl)piperazin-1-yl]-[(3R)-3-methylpyrrolidin-1-yl]methanone
CID 177134556
ethane;[4-(4-methylcyclohexyl)piperazin-1-yl]-[(3S)-3-methylpyrrolidin-1-yl]methanone
CID 177134757
ethene;1-(3-methylpyrrolidin-1-yl)ethanone
CID 177026606
(4-hydroxypiperidin-1-yl)-(4-methylpiperidin-1-yl)methanone
CID 58959877
cyclopentyl(1,3-thiazolidin-3-yl)methanone
CID 122331918
1-(2-methylmorpholine-4-carbonyl)piperidine-4-carboxylic acid
CID 43135712
2-methyl-2-[methyl-(3-methylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 62820953
1-[4-(3-methylpiperidine-1-carbonyl)piperazin-1-yl]ethanone
CID 108988685

Frequently Asked Questions

What is the IUPAC name of (3-methylpyrrolidin-1-yl)-(1,3-thiazolidin-3-yl)methanone?
The IUPAC name of (3-methylpyrrolidin-1-yl)-(1,3-thiazolidin-3-yl)methanone (CID 130679410) is (3-methylpyrrolidin-1-yl)-(1,3-thiazolidin-3-yl)methanone.
What is the SMILES notation for (3-methylpyrrolidin-1-yl)-(1,3-thiazolidin-3-yl)methanone?
The canonical SMILES for (3-methylpyrrolidin-1-yl)-(1,3-thiazolidin-3-yl)methanone is CC1CCN(C(=O)N2CCSC2)C1.
What is the InChIKey of (3-methylpyrrolidin-1-yl)-(1,3-thiazolidin-3-yl)methanone?
The InChIKey is VTALTILYPCKGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-8-2-3-10(6-8)9(12)11-4-5-13-7-11/h8H,2-7H2,1H3.
What are the key properties of (3-methylpyrrolidin-1-yl)-(1,3-thiazolidin-3-yl)methanone?
(3-methylpyrrolidin-1-yl)-(1,3-thiazolidin-3-yl)methanone has a molecular weight of 200.31 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpyrrolidin-1-yl)-(1,3-thiazolidin-3-yl)methanone is sourced from PubChem (CID 130679410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).