(4E,5E)-2-cyclohexa-1,3-dien-1-yl-4,5-di(ethylidene)-1,3-thiazole

C13H15NS — CID 163629756

IUPAC(4E,5E)-2-cyclohexa-1,3-dien-1-yl-4,5-di(ethylidene)-1,3-thiazole
SMILESC/C=c1/nc(C2=CC=CCC2)s/c1=C/C
InChIInChI=1S/C13H15NS/c1-3-11-12(4-2)15-13(14-11)10-8-6-5-7-9-10/h3-6,8H,7,9H2,1-2H3/b11-3+,12-4+
InChIKeyHVBHHTFBYMSBQB-HMMKTVFPSA-N
MW217.34 g/mol
LogP2.48
Rot. Bonds1

About (4E,5E)-2-cyclohexa-1,3-dien-1-yl-4,5-di(ethylidene)-1,3-thiazole

(4E,5E)-2-cyclohexa-1,3-dien-1-yl-4,5-di(ethylidene)-1,3-thiazole (PubChem CID 163629756) has the molecular formula C13H15NS and a molecular weight of 217.34 g/mol. Its IUPAC name is (4E,5E)-2-cyclohexa-1,3-dien-1-yl-4,5-di(ethylidene)-1,3-thiazole.

Molecular Properties

Compound Name(4E,5E)-2-cyclohexa-1,3-dien-1-yl-4,5-di(ethylidene)-1,3-thiazole
PubChem CID163629756
Molecular FormulaC13H15NS
Molecular Weight217.34 g/mol
Exact Mass217.09
IUPAC Name(4E,5E)-2-cyclohexa-1,3-dien-1-yl-4,5-di(ethylidene)-1,3-thiazole
SMILESC/C=c1/nc(C2=CC=CCC2)s/c1=C/C
InChIInChI=1S/C13H15NS/c1-3-11-12(4-2)15-13(14-11)10-8-6-5-7-9-10/h3-6,8H,7,9H2,1-2H3/b11-3+,12-4+
InChIKeyHVBHHTFBYMSBQB-HMMKTVFPSA-N
XLogP2.48
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4E,5E)-2-cyclohexa-1,3-dien-1-yl-4,5-di(ethylidene)-1,3-thiazole with MolForge

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Launch Full Analysis

Related Compounds

2-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-4,7-dimethyl-5,6-dihydro-1,3-benzothiazole
CID 142358274
Cyclopenta[b]thieno[3,2-e]pyridine
CID 129743699
8-Methyl-2,3-dihydrothiopyrano [3,2-b]indole
CID 129790774
2-Propan-2-yl-5,6-dihydro-1,3-benzothiazole
CID 121464737
4-Methyl-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1,3,6,8,9,11,13-heptaene
CID 134194928
2,3,4,5-Tetrahydrothiopyrano[2,3-b]indole
CID 140330791
2,3,4,5-Tetrahydrothiopyrano[2,3-b]indole;hydrochloride
CID 140356817
4,7-dimethyl-2-[(3E,5Z)-8-methylnona-1,3,5-trien-4-yl]-5,6-dihydro-1,3-benzothiazole
CID 142358276
5-(4,7-dimethyl-5,6-dihydro-1,3-benzothiazol-2-yl)-N,N-dimethylcyclohepta-1,4,6-trien-1-amine;ethane
CID 142394294
5,5-Dimethyl-2-(4-methylcyclohexa-1,3-dien-1-yl)cyclohepta[d][1,3]thiazole
CID 143039092
ethane;(4E)-5-methylidene-2-[(3E,5Z)-5-methylocta-1,3,5,7-tetraen-4-yl]-4-[(Z)-3-methylpent-3-enylidene]-1,3-thiazole
CID 144513129
(5E)-2-methyl-4-methylidene-5-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-1,3-thiazole
CID 145123007

Frequently Asked Questions

What is the IUPAC name of (4E,5E)-2-cyclohexa-1,3-dien-1-yl-4,5-di(ethylidene)-1,3-thiazole?
The IUPAC name of (4E,5E)-2-cyclohexa-1,3-dien-1-yl-4,5-di(ethylidene)-1,3-thiazole (CID 163629756) is (4E,5E)-2-cyclohexa-1,3-dien-1-yl-4,5-di(ethylidene)-1,3-thiazole.
What is the SMILES notation for (4E,5E)-2-cyclohexa-1,3-dien-1-yl-4,5-di(ethylidene)-1,3-thiazole?
The canonical SMILES for (4E,5E)-2-cyclohexa-1,3-dien-1-yl-4,5-di(ethylidene)-1,3-thiazole is C/C=c1/nc(C2=CC=CCC2)s/c1=C/C.
What is the InChIKey of (4E,5E)-2-cyclohexa-1,3-dien-1-yl-4,5-di(ethylidene)-1,3-thiazole?
The InChIKey is HVBHHTFBYMSBQB-HMMKTVFPSA-N. The full InChI is InChI=1S/C13H15NS/c1-3-11-12(4-2)15-13(14-11)10-8-6-5-7-9-10/h3-6,8H,7,9H2,1-2H3/b11-3+,12-4+.
What are the key properties of (4E,5E)-2-cyclohexa-1,3-dien-1-yl-4,5-di(ethylidene)-1,3-thiazole?
(4E,5E)-2-cyclohexa-1,3-dien-1-yl-4,5-di(ethylidene)-1,3-thiazole has a molecular weight of 217.34 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-2-cyclohexa-1,3-dien-1-yl-4,5-di(ethylidene)-1,3-thiazole is sourced from PubChem (CID 163629756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).