3-methyl-2-prop-2-enylidene-1,3-thiazolidine

C7H11NS — CID 4043305

IUPAC3-methyl-2-prop-2-enylidene-1,3-thiazolidine
SMILESC=CC=C1SCCN1C
InChIInChI=1S/C7H11NS/c1-3-4-7-8(2)5-6-9-7/h3-4H,1,5-6H2,2H3
InChIKeyDUYUBXFSXQMSIV-UHFFFAOYSA-N
MW141.24 g/mol
LogP1.69
Rot. Bonds1

About 3-methyl-2-prop-2-enylidene-1,3-thiazolidine

3-methyl-2-prop-2-enylidene-1,3-thiazolidine (PubChem CID 4043305) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 3-methyl-2-prop-2-enylidene-1,3-thiazolidine.

Molecular Properties

Compound Name3-methyl-2-prop-2-enylidene-1,3-thiazolidine
PubChem CID4043305
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name3-methyl-2-prop-2-enylidene-1,3-thiazolidine
SMILESC=CC=C1SCCN1C
InChIInChI=1S/C7H11NS/c1-3-4-7-8(2)5-6-9-7/h3-4H,1,5-6H2,2H3
InChIKeyDUYUBXFSXQMSIV-UHFFFAOYSA-N
XLogP1.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-prop-2-enylidene-1,3-thiazolidine?
The IUPAC name of 3-methyl-2-prop-2-enylidene-1,3-thiazolidine (CID 4043305) is 3-methyl-2-prop-2-enylidene-1,3-thiazolidine.
What is the SMILES notation for 3-methyl-2-prop-2-enylidene-1,3-thiazolidine?
The canonical SMILES for 3-methyl-2-prop-2-enylidene-1,3-thiazolidine is C=CC=C1SCCN1C.
What is the InChIKey of 3-methyl-2-prop-2-enylidene-1,3-thiazolidine?
The InChIKey is DUYUBXFSXQMSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-3-4-7-8(2)5-6-9-7/h3-4H,1,5-6H2,2H3.
What are the key properties of 3-methyl-2-prop-2-enylidene-1,3-thiazolidine?
3-methyl-2-prop-2-enylidene-1,3-thiazolidine has a molecular weight of 141.24 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-prop-2-enylidene-1,3-thiazolidine is sourced from PubChem (CID 4043305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).