(4E,5E)-2-methylsulfanyl-4,5-bis(prop-2-enylidene)-1,3-thiazole

C10H11NS2 — CID 135242948

IUPAC(4E,5E)-2-methylsulfanyl-4,5-bis(prop-2-enylidene)-1,3-thiazole
SMILESC=C/C=c1/nc(SC)s/c1=C/C=C
InChIInChI=1S/C10H11NS2/c1-4-6-8-9(7-5-2)13-10(11-8)12-3/h4-7H,1-2H2,3H3/b8-6+,9-7+
InChIKeyGVASTYKZQZEJLP-CDJQDVQCSA-N
MW209.34 g/mol
LogP1.80
Rot. Bonds3

About (4E,5E)-2-methylsulfanyl-4,5-bis(prop-2-enylidene)-1,3-thiazole

(4E,5E)-2-methylsulfanyl-4,5-bis(prop-2-enylidene)-1,3-thiazole (PubChem CID 135242948) has the molecular formula C10H11NS2 and a molecular weight of 209.34 g/mol. Its IUPAC name is (4E,5E)-2-methylsulfanyl-4,5-bis(prop-2-enylidene)-1,3-thiazole.

Molecular Properties

Compound Name(4E,5E)-2-methylsulfanyl-4,5-bis(prop-2-enylidene)-1,3-thiazole
PubChem CID135242948
Molecular FormulaC10H11NS2
Molecular Weight209.34 g/mol
Exact Mass209.03
IUPAC Name(4E,5E)-2-methylsulfanyl-4,5-bis(prop-2-enylidene)-1,3-thiazole
SMILESC=C/C=c1/nc(SC)s/c1=C/C=C
InChIInChI=1S/C10H11NS2/c1-4-6-8-9(7-5-2)13-10(11-8)12-3/h4-7H,1-2H2,3H3/b8-6+,9-7+
InChIKeyGVASTYKZQZEJLP-CDJQDVQCSA-N
XLogP1.80
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4E,5E)-2-methylsulfanyl-4,5-bis(prop-2-enylidene)-1,3-thiazole?
The IUPAC name of (4E,5E)-2-methylsulfanyl-4,5-bis(prop-2-enylidene)-1,3-thiazole (CID 135242948) is (4E,5E)-2-methylsulfanyl-4,5-bis(prop-2-enylidene)-1,3-thiazole.
What is the SMILES notation for (4E,5E)-2-methylsulfanyl-4,5-bis(prop-2-enylidene)-1,3-thiazole?
The canonical SMILES for (4E,5E)-2-methylsulfanyl-4,5-bis(prop-2-enylidene)-1,3-thiazole is C=C/C=c1/nc(SC)s/c1=C/C=C.
What is the InChIKey of (4E,5E)-2-methylsulfanyl-4,5-bis(prop-2-enylidene)-1,3-thiazole?
The InChIKey is GVASTYKZQZEJLP-CDJQDVQCSA-N. The full InChI is InChI=1S/C10H11NS2/c1-4-6-8-9(7-5-2)13-10(11-8)12-3/h4-7H,1-2H2,3H3/b8-6+,9-7+.
What are the key properties of (4E,5E)-2-methylsulfanyl-4,5-bis(prop-2-enylidene)-1,3-thiazole?
(4E,5E)-2-methylsulfanyl-4,5-bis(prop-2-enylidene)-1,3-thiazole has a molecular weight of 209.34 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-2-methylsulfanyl-4,5-bis(prop-2-enylidene)-1,3-thiazole is sourced from PubChem (CID 135242948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).