4-(2-methylhex-4-en-3-ylidene)-5-propan-2-ylidene-1,3-thiazole

C13H19NS — CID 91027427

IUPAC4-(2-methylhex-4-en-3-ylidene)-5-propan-2-ylidene-1,3-thiazole
SMILESCC=CC(=c1ncsc1=C(C)C)C(C)C
InChIInChI=1S/C13H19NS/c1-6-7-11(9(2)3)12-13(10(4)5)15-8-14-12/h6-9H,1-5H3
InChIKeyGBMVMBHCCCVQPJ-UHFFFAOYSA-N
MW221.37 g/mol
LogP2.72
Rot. Bonds2

About 4-(2-methylhex-4-en-3-ylidene)-5-propan-2-ylidene-1,3-thiazole

4-(2-methylhex-4-en-3-ylidene)-5-propan-2-ylidene-1,3-thiazole (PubChem CID 91027427) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is 4-(2-methylhex-4-en-3-ylidene)-5-propan-2-ylidene-1,3-thiazole.

Molecular Properties

Compound Name4-(2-methylhex-4-en-3-ylidene)-5-propan-2-ylidene-1,3-thiazole
PubChem CID91027427
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name4-(2-methylhex-4-en-3-ylidene)-5-propan-2-ylidene-1,3-thiazole
SMILESCC=CC(=c1ncsc1=C(C)C)C(C)C
InChIInChI=1S/C13H19NS/c1-6-7-11(9(2)3)12-13(10(4)5)15-8-14-12/h6-9H,1-5H3
InChIKeyGBMVMBHCCCVQPJ-UHFFFAOYSA-N
XLogP2.72
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5Z)-5-(1-fluoro-3-methyl-2-methylidenebutylidene)-4-methylidene-1,3-thiazole
CID 178009408
(4E,5E)-5-(3,5-dimethylhexylidene)-4-ethylidene-1,3-thiazole
CID 89435831
6-Methyl-5,6-dihydro-1,3-benzothiazole
CID 89474199
methyl N-(3-methylocta-1,3,5-trien-2-yl)methanimidothioate
CID 123168665
2-ethylpent-3-enyl N-(2-ethenylbut-2-enyl)methanimidothioate
CID 123514781
4-Ethylidene-5-(2-methylprop-2-enylidene)-1,3-thiazole
CID 124006924
(4E)-4-[(Z)-2-methylbut-2-enylidene]-5-methylidene-1,3-thiazole
CID 141864711
(4E)-4-[(2E,4Z)-2-tert-butylhexa-2,4-dienylidene]-5-methylidene-1,3-thiazole
CID 142847482
5,7-dimethyl-7H-cyclohepta[d][1,3]thiazole
CID 143657117
ethane;N-[(3E)-5-methyl-4-methylsulfanylhexa-1,3,5-trien-3-yl]methanimine
CID 143768531
Ethane;7-methyl-7-propan-2-ylcyclohepta[d][1,3]thiazole
CID 143877837
7-butan-2-yl-5H-cyclohepta[d][1,3]thiazole;ethane
CID 144512962

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylhex-4-en-3-ylidene)-5-propan-2-ylidene-1,3-thiazole?
The IUPAC name of 4-(2-methylhex-4-en-3-ylidene)-5-propan-2-ylidene-1,3-thiazole (CID 91027427) is 4-(2-methylhex-4-en-3-ylidene)-5-propan-2-ylidene-1,3-thiazole.
What is the SMILES notation for 4-(2-methylhex-4-en-3-ylidene)-5-propan-2-ylidene-1,3-thiazole?
The canonical SMILES for 4-(2-methylhex-4-en-3-ylidene)-5-propan-2-ylidene-1,3-thiazole is CC=CC(=c1ncsc1=C(C)C)C(C)C.
What is the InChIKey of 4-(2-methylhex-4-en-3-ylidene)-5-propan-2-ylidene-1,3-thiazole?
The InChIKey is GBMVMBHCCCVQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-6-7-11(9(2)3)12-13(10(4)5)15-8-14-12/h6-9H,1-5H3.
What are the key properties of 4-(2-methylhex-4-en-3-ylidene)-5-propan-2-ylidene-1,3-thiazole?
4-(2-methylhex-4-en-3-ylidene)-5-propan-2-ylidene-1,3-thiazole has a molecular weight of 221.37 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylhex-4-en-3-ylidene)-5-propan-2-ylidene-1,3-thiazole is sourced from PubChem (CID 91027427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).