(5E)-4-ethyl-5-prop-2-enylidene-2H-1,3-thiazole

C8H11NS — CID 123544736

IUPAC(5E)-4-ethyl-5-prop-2-enylidene-2H-1,3-thiazole
SMILESC=C/C=C1/SCN=C1CC
InChIInChI=1S/C8H11NS/c1-3-5-8-7(4-2)9-6-10-8/h3,5H,1,4,6H2,2H3/b8-5+
InChIKeyOEGJMSDMGJMFQE-VMPITWQZSA-N
MW153.25 g/mol
LogP2.61
Rot. Bonds2

About (5E)-4-ethyl-5-prop-2-enylidene-2H-1,3-thiazole

(5E)-4-ethyl-5-prop-2-enylidene-2H-1,3-thiazole (PubChem CID 123544736) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is (5E)-4-ethyl-5-prop-2-enylidene-2H-1,3-thiazole.

Molecular Properties

Compound Name(5E)-4-ethyl-5-prop-2-enylidene-2H-1,3-thiazole
PubChem CID123544736
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name(5E)-4-ethyl-5-prop-2-enylidene-2H-1,3-thiazole
SMILESC=C/C=C1/SCN=C1CC
InChIInChI=1S/C8H11NS/c1-3-5-8-7(4-2)9-6-10-8/h3,5H,1,4,6H2,2H3/b8-5+
InChIKeyOEGJMSDMGJMFQE-VMPITWQZSA-N
XLogP2.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-Dihydrobenzo[d]thiazole
CID 50923656
2H-cyclopenta[d][1,3]thiazole
CID 68680992
2-(1,3-Octadienyl)-4,5-dimethyl-3-thiazoline, cis
CID 91750856
2-(1,3-Octadienyl)-4,5-dimethyl-3-thiazoline, trans
CID 91750857
1-ethyl-2H-1,3-benzothiazole
CID 57149168
2H-cyclohepta[d][1,3]thiazole
CID 68681003
2-methylsulfanyl-2H-benzimidazole
CID 69823388
1-prop-2-enyl-2H-1,3-benzothiazole
CID 88222840
1-ethyl-2H-1,3-benzothiazol-2-ylium iodide
CID 88634789
N-methyl-1-methylsulfanylhepta-4,6-dien-3-imine
CID 123333106
N-methyl-5-methylsulfanylhepta-1,4,6-trien-3-imine
CID 123528853
N-methyl-2-(2-methylidenebutylidene)thiophen-3-imine
CID 123630813

Frequently Asked Questions

What is the IUPAC name of (5E)-4-ethyl-5-prop-2-enylidene-2H-1,3-thiazole?
The IUPAC name of (5E)-4-ethyl-5-prop-2-enylidene-2H-1,3-thiazole (CID 123544736) is (5E)-4-ethyl-5-prop-2-enylidene-2H-1,3-thiazole.
What is the SMILES notation for (5E)-4-ethyl-5-prop-2-enylidene-2H-1,3-thiazole?
The canonical SMILES for (5E)-4-ethyl-5-prop-2-enylidene-2H-1,3-thiazole is C=C/C=C1/SCN=C1CC.
What is the InChIKey of (5E)-4-ethyl-5-prop-2-enylidene-2H-1,3-thiazole?
The InChIKey is OEGJMSDMGJMFQE-VMPITWQZSA-N. The full InChI is InChI=1S/C8H11NS/c1-3-5-8-7(4-2)9-6-10-8/h3,5H,1,4,6H2,2H3/b8-5+.
What are the key properties of (5E)-4-ethyl-5-prop-2-enylidene-2H-1,3-thiazole?
(5E)-4-ethyl-5-prop-2-enylidene-2H-1,3-thiazole has a molecular weight of 153.25 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-4-ethyl-5-prop-2-enylidene-2H-1,3-thiazole is sourced from PubChem (CID 123544736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).