5-ethyl-3-methyl-2-methylidene-4-propa-1,2-dienylidene-1,3-thiazolidine

C10H13NS — CID 139326385

IUPAC5-ethyl-3-methyl-2-methylidene-4-propa-1,2-dienylidene-1,3-thiazolidine
SMILESC=C=C=C1C(CC)SC(=C)N1C
InChIInChI=1S/C10H13NS/c1-5-7-9-10(6-2)12-8(3)11(9)4/h10H,1,3,6H2,2,4H3
InChIKeyHTWWLYAQNQGIKF-UHFFFAOYSA-N
MW179.29 g/mol
LogP2.74
Rot. Bonds1

About 5-ethyl-3-methyl-2-methylidene-4-propa-1,2-dienylidene-1,3-thiazolidine

5-ethyl-3-methyl-2-methylidene-4-propa-1,2-dienylidene-1,3-thiazolidine (PubChem CID 139326385) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is 5-ethyl-3-methyl-2-methylidene-4-propa-1,2-dienylidene-1,3-thiazolidine.

Molecular Properties

Compound Name5-ethyl-3-methyl-2-methylidene-4-propa-1,2-dienylidene-1,3-thiazolidine
PubChem CID139326385
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name5-ethyl-3-methyl-2-methylidene-4-propa-1,2-dienylidene-1,3-thiazolidine
SMILESC=C=C=C1C(CC)SC(=C)N1C
InChIInChI=1S/C10H13NS/c1-5-7-9-10(6-2)12-8(3)11(9)4/h10H,1,3,6H2,2,4H3
InChIKeyHTWWLYAQNQGIKF-UHFFFAOYSA-N
XLogP2.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-methyl-2-methylidene-4-propa-1,2-dienylidene-1,3-thiazolidine?
The IUPAC name of 5-ethyl-3-methyl-2-methylidene-4-propa-1,2-dienylidene-1,3-thiazolidine (CID 139326385) is 5-ethyl-3-methyl-2-methylidene-4-propa-1,2-dienylidene-1,3-thiazolidine.
What is the SMILES notation for 5-ethyl-3-methyl-2-methylidene-4-propa-1,2-dienylidene-1,3-thiazolidine?
The canonical SMILES for 5-ethyl-3-methyl-2-methylidene-4-propa-1,2-dienylidene-1,3-thiazolidine is C=C=C=C1C(CC)SC(=C)N1C.
What is the InChIKey of 5-ethyl-3-methyl-2-methylidene-4-propa-1,2-dienylidene-1,3-thiazolidine?
The InChIKey is HTWWLYAQNQGIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS/c1-5-7-9-10(6-2)12-8(3)11(9)4/h10H,1,3,6H2,2,4H3.
What are the key properties of 5-ethyl-3-methyl-2-methylidene-4-propa-1,2-dienylidene-1,3-thiazolidine?
5-ethyl-3-methyl-2-methylidene-4-propa-1,2-dienylidene-1,3-thiazolidine has a molecular weight of 179.29 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-methyl-2-methylidene-4-propa-1,2-dienylidene-1,3-thiazolidine is sourced from PubChem (CID 139326385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).