(5E)-2-methyl-4-methylidene-5-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-1,3-thiazole

C12H11NS — CID 145123007

IUPAC(5E)-2-methyl-4-methylidene-5-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-1,3-thiazole
SMILESC=c1cccc/c1=c1\sc(C)nc1=C
InChIInChI=1S/C12H11NS/c1-8-6-4-5-7-11(8)12-9(2)13-10(3)14-12/h4-7H,1-2H2,3H3/b12-11+
InChIKeyVYQJYJHIIRKAFR-VAWYXSNFSA-N
MW201.29 g/mol
LogP1.56
Rot. Bonds

About (5E)-2-methyl-4-methylidene-5-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-1,3-thiazole

(5E)-2-methyl-4-methylidene-5-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-1,3-thiazole (PubChem CID 145123007) has the molecular formula C12H11NS and a molecular weight of 201.29 g/mol. Its IUPAC name is (5E)-2-methyl-4-methylidene-5-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-1,3-thiazole.

Molecular Properties

Compound Name(5E)-2-methyl-4-methylidene-5-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-1,3-thiazole
PubChem CID145123007
Molecular FormulaC12H11NS
Molecular Weight201.29 g/mol
Exact Mass201.06
IUPAC Name(5E)-2-methyl-4-methylidene-5-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-1,3-thiazole
SMILESC=c1cccc/c1=c1\sc(C)nc1=C
InChIInChI=1S/C12H11NS/c1-8-6-4-5-7-11(8)12-9(2)13-10(3)14-12/h4-7H,1-2H2,3H3/b12-11+
InChIKeyVYQJYJHIIRKAFR-VAWYXSNFSA-N
XLogP1.56
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5E)-2-methyl-4-methylidene-5-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-1,3-thiazole with MolForge

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Related Compounds

(4E,5E)-5-ethylidene-4-[(E)-3-fluoro-2-methylprop-2-enylidene]-2-methyl-1,3-thiazole
CID 169883021
2-methyl-6-(trifluoromethyl)-7H-cyclohepta[d][1,3]thiazole
CID 162553782
2-Methyl-5,6-dihydro-1,3-benzothiazole
CID 20096831
2,7-dimethyl-4H-1,3-benzothiazol-4-ide;vanadium
CID 57951438
2,5-Dimethyl-5,6-dihydro-1,3-benzothiazole
CID 67596976
2,5,6-trimethyl-8H-indeno[1,2-d][1,3]thiazole;hydrobromide
CID 88219020
(4E)-2-methyl-4-[(Z)-pent-2-enylidene]-1,3-thiazole
CID 88944830
2,6-Dimethyl-5,6-dihydro-1,3-benzothiazole
CID 89217474
2,7,9-trimethyl-6,9-dihydro-5H-cyclonona[d][1,3]thiazole
CID 90794537
2-Propan-2-yl-5,6-dihydro-1,3-benzothiazole
CID 121464737
2-Methyl-5-(2-methylbut-2-enylidene)-4-methylidene-1,3-thiazole
CID 123191476
2-methyl-6H-cycloocta[d][1,3]thiazole
CID 123408513

Frequently Asked Questions

What is the IUPAC name of (5E)-2-methyl-4-methylidene-5-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-1,3-thiazole?
The IUPAC name of (5E)-2-methyl-4-methylidene-5-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-1,3-thiazole (CID 145123007) is (5E)-2-methyl-4-methylidene-5-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-1,3-thiazole.
What is the SMILES notation for (5E)-2-methyl-4-methylidene-5-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-1,3-thiazole?
The canonical SMILES for (5E)-2-methyl-4-methylidene-5-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-1,3-thiazole is C=c1cccc/c1=c1\sc(C)nc1=C.
What is the InChIKey of (5E)-2-methyl-4-methylidene-5-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-1,3-thiazole?
The InChIKey is VYQJYJHIIRKAFR-VAWYXSNFSA-N. The full InChI is InChI=1S/C12H11NS/c1-8-6-4-5-7-11(8)12-9(2)13-10(3)14-12/h4-7H,1-2H2,3H3/b12-11+.
What are the key properties of (5E)-2-methyl-4-methylidene-5-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-1,3-thiazole?
(5E)-2-methyl-4-methylidene-5-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-1,3-thiazole has a molecular weight of 201.29 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-methyl-4-methylidene-5-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-1,3-thiazole is sourced from PubChem (CID 145123007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).