2-[2-(5-ethyl-3-methylidenecyclohexa-1,5-dien-1-yl)ethyl]-5-methylidene-2H-1,3-thiazole

C15H19NS — CID 137031951

IUPAC2-[2-(5-ethyl-3-methylidenecyclohexa-1,5-dien-1-yl)ethyl]-5-methylidene-2H-1,3-thiazole
SMILESC=C1C=C(CCC2N=CC(=C)S2)C=C(CC)C1
InChIInChI=1S/C15H19NS/c1-4-13-7-11(2)8-14(9-13)5-6-15-16-10-12(3)17-15/h8-10,15H,2-7H2,1H3
InChIKeyPPIIYUUKJDBIIC-UHFFFAOYSA-N
MW245.39 g/mol
LogP4.65
Rot. Bonds4

About 2-[2-(5-ethyl-3-methylidenecyclohexa-1,5-dien-1-yl)ethyl]-5-methylidene-2H-1,3-thiazole

2-[2-(5-ethyl-3-methylidenecyclohexa-1,5-dien-1-yl)ethyl]-5-methylidene-2H-1,3-thiazole (PubChem CID 137031951) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is 2-[2-(5-ethyl-3-methylidenecyclohexa-1,5-dien-1-yl)ethyl]-5-methylidene-2H-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(5-ethyl-3-methylidenecyclohexa-1,5-dien-1-yl)ethyl]-5-methylidene-2H-1,3-thiazole
PubChem CID137031951
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC Name2-[2-(5-ethyl-3-methylidenecyclohexa-1,5-dien-1-yl)ethyl]-5-methylidene-2H-1,3-thiazole
SMILESC=C1C=C(CCC2N=CC(=C)S2)C=C(CC)C1
InChIInChI=1S/C15H19NS/c1-4-13-7-11(2)8-14(9-13)5-6-15-16-10-12(3)17-15/h8-10,15H,2-7H2,1H3
InChIKeyPPIIYUUKJDBIIC-UHFFFAOYSA-N
XLogP4.65
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[2-(5-ethyl-3-methylidenecyclohexa-1,5-dien-1-yl)ethyl]-5-methylidene-2H-1,3-thiazole with MolForge

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Related Compounds

2-Methyl-5-methylsulfanyl-2,3,4,5-tetrahydrothieno[2,3-c]pyridine
CID 70367303
(4Z,5E)-4-ethylidene-5-prop-2-enylidene-6-prop-2-enylsulfanyl-2,3-dihydropyridine
CID 89510178
4-Ethylidene-5-prop-2-enylidene-6-prop-2-enylsulfanyl-2,3-dihydropyridine
CID 123980966
2-(3,6-dihydro-2H-thiopyran-4-yl)-N-methylbut-2-en-1-imine
CID 124030985
N-[1-(4-ethylsulfanylcyclohexa-1,3-dien-1-yl)ethenyl]-2-methylprop-2-en-1-imine
CID 145351625
2-Methyl-2,3,4,5-tetrahydrothieno[2,3-c]pyridine
CID 145826587
2-Tert-butyl-7-methyl-7,7a-dihydrothieno[2,3-c]pyridine
CID 154964078
(2E)-2-[(3E)-5-butyl-3-propylidenethiophen-2-ylidene]-N-methylpropan-1-imine
CID 169813524
(1E,11Z)-2-methyl-3-thia-9-azabicyclo[10.4.0]hexadeca-1,9,11,13,15-pentaene
CID 141866964

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-ethyl-3-methylidenecyclohexa-1,5-dien-1-yl)ethyl]-5-methylidene-2H-1,3-thiazole?
The IUPAC name of 2-[2-(5-ethyl-3-methylidenecyclohexa-1,5-dien-1-yl)ethyl]-5-methylidene-2H-1,3-thiazole (CID 137031951) is 2-[2-(5-ethyl-3-methylidenecyclohexa-1,5-dien-1-yl)ethyl]-5-methylidene-2H-1,3-thiazole.
What is the SMILES notation for 2-[2-(5-ethyl-3-methylidenecyclohexa-1,5-dien-1-yl)ethyl]-5-methylidene-2H-1,3-thiazole?
The canonical SMILES for 2-[2-(5-ethyl-3-methylidenecyclohexa-1,5-dien-1-yl)ethyl]-5-methylidene-2H-1,3-thiazole is C=C1C=C(CCC2N=CC(=C)S2)C=C(CC)C1.
What is the InChIKey of 2-[2-(5-ethyl-3-methylidenecyclohexa-1,5-dien-1-yl)ethyl]-5-methylidene-2H-1,3-thiazole?
The InChIKey is PPIIYUUKJDBIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-4-13-7-11(2)8-14(9-13)5-6-15-16-10-12(3)17-15/h8-10,15H,2-7H2,1H3.
What are the key properties of 2-[2-(5-ethyl-3-methylidenecyclohexa-1,5-dien-1-yl)ethyl]-5-methylidene-2H-1,3-thiazole?
2-[2-(5-ethyl-3-methylidenecyclohexa-1,5-dien-1-yl)ethyl]-5-methylidene-2H-1,3-thiazole has a molecular weight of 245.39 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-ethyl-3-methylidenecyclohexa-1,5-dien-1-yl)ethyl]-5-methylidene-2H-1,3-thiazole is sourced from PubChem (CID 137031951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).