(4E,5E)-5-(3,5-dimethylhexylidene)-4-ethylidene-1,3-thiazole

C13H21NS — CID 89435831

IUPAC(4E,5E)-5-(3,5-dimethylhexylidene)-4-ethylidene-1,3-thiazole
SMILESC/C=c1/ncs/c1=C/CC(C)CC(C)C
InChIInChI=1S/C13H21NS/c1-5-12-13(15-9-14-12)7-6-11(4)8-10(2)3/h5,7,9-11H,6,8H2,1-4H3/b12-5+,13-7+
InChIKeyXPGBDVCKZBIBFJ-HBGINIEDSA-N
MW223.38 g/mol
LogP2.80
Rot. Bonds4

About (4E,5E)-5-(3,5-dimethylhexylidene)-4-ethylidene-1,3-thiazole

(4E,5E)-5-(3,5-dimethylhexylidene)-4-ethylidene-1,3-thiazole (PubChem CID 89435831) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is (4E,5E)-5-(3,5-dimethylhexylidene)-4-ethylidene-1,3-thiazole.

Molecular Properties

Compound Name(4E,5E)-5-(3,5-dimethylhexylidene)-4-ethylidene-1,3-thiazole
PubChem CID89435831
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name(4E,5E)-5-(3,5-dimethylhexylidene)-4-ethylidene-1,3-thiazole
SMILESC/C=c1/ncs/c1=C/CC(C)CC(C)C
InChIInChI=1S/C13H21NS/c1-5-12-13(15-9-14-12)7-6-11(4)8-10(2)3/h5,7,9-11H,6,8H2,1-4H3/b12-5+,13-7+
InChIKeyXPGBDVCKZBIBFJ-HBGINIEDSA-N
XLogP2.80
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4E,5E)-5-(3,5-dimethylhexylidene)-4-ethylidene-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4E,5E)-5-(3,5-dimethylhexylidene)-4-ethylidene-1,3-thiazole?
The IUPAC name of (4E,5E)-5-(3,5-dimethylhexylidene)-4-ethylidene-1,3-thiazole (CID 89435831) is (4E,5E)-5-(3,5-dimethylhexylidene)-4-ethylidene-1,3-thiazole.
What is the SMILES notation for (4E,5E)-5-(3,5-dimethylhexylidene)-4-ethylidene-1,3-thiazole?
The canonical SMILES for (4E,5E)-5-(3,5-dimethylhexylidene)-4-ethylidene-1,3-thiazole is C/C=c1/ncs/c1=C/CC(C)CC(C)C.
What is the InChIKey of (4E,5E)-5-(3,5-dimethylhexylidene)-4-ethylidene-1,3-thiazole?
The InChIKey is XPGBDVCKZBIBFJ-HBGINIEDSA-N. The full InChI is InChI=1S/C13H21NS/c1-5-12-13(15-9-14-12)7-6-11(4)8-10(2)3/h5,7,9-11H,6,8H2,1-4H3/b12-5+,13-7+.
What are the key properties of (4E,5E)-5-(3,5-dimethylhexylidene)-4-ethylidene-1,3-thiazole?
(4E,5E)-5-(3,5-dimethylhexylidene)-4-ethylidene-1,3-thiazole has a molecular weight of 223.38 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-5-(3,5-dimethylhexylidene)-4-ethylidene-1,3-thiazole is sourced from PubChem (CID 89435831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).