3-(cyclopropylmethyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one

C12H14N2OS — CID 2732306

IUPAC3-(cyclopropylmethyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccnc2)N1CC1CC1
InChIInChI=1S/C12H14N2OS/c15-11-8-16-12(10-2-1-5-13-6-10)14(11)7-9-3-4-9/h1-2,5-6,9,12H,3-4,7-8H2
InChIKeyFMSFLRXNZIRXFQ-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.07
Rot. Bonds3

About 3-(cyclopropylmethyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one

3-(cyclopropylmethyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one (PubChem CID 2732306) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
PubChem CID2732306
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name3-(cyclopropylmethyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccnc2)N1CC1CC1
InChIInChI=1S/C12H14N2OS/c15-11-8-16-12(10-2-1-5-13-6-10)14(11)7-9-3-4-9/h1-2,5-6,9,12H,3-4,7-8H2
InChIKeyFMSFLRXNZIRXFQ-UHFFFAOYSA-N
XLogP2.07
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Chlorophenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 2731884
3-Phenyl-2-(3-pyridyl)-1,3-thiazolan-4-one
CID 2731886
N-Acetylnornicotine
CID 165384
3-[4-(Tert-butyl)phenyl]-2-(3-pyridyl)-1,3-thiazolan-4-one
CID 2731891
3-(3-Chlorophenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 3293548
ST085749
CID 317081
2-phenylthio-N-(3-pyridylmethyl)acetamide
CID 800469
3-(4-Chlorobenzyl)-2-(3-pyridyl)-1,3-thiazolan-4-one
CID 2731954
3-[(3-Pyridinylmethylene)amino]-2-thioxo-1,3-thiazolan-4-one
CID 9566480
3-Phenyl-2-pyridin-2-yl-1,3-thiazolidin-4-one
CID 3237434
3-(4-Fluorophenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 5080345
2-(4-(4-Ethylphenyl)pyridin-3-yl)-3-isobutylthiazolidin-4-one
CID 10246646

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The IUPAC name of 3-(cyclopropylmethyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one (CID 2732306) is 3-(cyclopropylmethyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(cyclopropylmethyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(cyclopropylmethyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one is O=C1CSC(c2cccnc2)N1CC1CC1.
What is the InChIKey of 3-(cyclopropylmethyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The InChIKey is FMSFLRXNZIRXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c15-11-8-16-12(10-2-1-5-13-6-10)14(11)7-9-3-4-9/h1-2,5-6,9,12H,3-4,7-8H2.
What are the key properties of 3-(cyclopropylmethyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one?
3-(cyclopropylmethyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one has a molecular weight of 234.32 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 2732306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).