(4E,5E)-5-(3,5-dimethylhexylidene)-4-ethylidene-2-methyl-1,3-thiazole

C14H23NS — CID 70894710

IUPAC(4E,5E)-5-(3,5-dimethylhexylidene)-4-ethylidene-2-methyl-1,3-thiazole
SMILESC/C=c1/nc(C)s/c1=C/CC(C)CC(C)C
InChIInChI=1S/C14H23NS/c1-6-13-14(16-12(5)15-13)8-7-11(4)9-10(2)3/h6,8,10-11H,7,9H2,1-5H3/b13-6+,14-8+
InChIKeyUYEPKBXFGOUYDN-HKAZRAOBSA-N
MW237.41 g/mol
LogP3.10
Rot. Bonds4

About (4E,5E)-5-(3,5-dimethylhexylidene)-4-ethylidene-2-methyl-1,3-thiazole

(4E,5E)-5-(3,5-dimethylhexylidene)-4-ethylidene-2-methyl-1,3-thiazole (PubChem CID 70894710) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is (4E,5E)-5-(3,5-dimethylhexylidene)-4-ethylidene-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name(4E,5E)-5-(3,5-dimethylhexylidene)-4-ethylidene-2-methyl-1,3-thiazole
PubChem CID70894710
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC Name(4E,5E)-5-(3,5-dimethylhexylidene)-4-ethylidene-2-methyl-1,3-thiazole
SMILESC/C=c1/nc(C)s/c1=C/CC(C)CC(C)C
InChIInChI=1S/C14H23NS/c1-6-13-14(16-12(5)15-13)8-7-11(4)9-10(2)3/h6,8,10-11H,7,9H2,1-5H3/b13-6+,14-8+
InChIKeyUYEPKBXFGOUYDN-HKAZRAOBSA-N
XLogP3.10
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4E,5E)-5-(3,5-dimethylhexylidene)-4-ethylidene-2-methyl-1,3-thiazole?
The IUPAC name of (4E,5E)-5-(3,5-dimethylhexylidene)-4-ethylidene-2-methyl-1,3-thiazole (CID 70894710) is (4E,5E)-5-(3,5-dimethylhexylidene)-4-ethylidene-2-methyl-1,3-thiazole.
What is the SMILES notation for (4E,5E)-5-(3,5-dimethylhexylidene)-4-ethylidene-2-methyl-1,3-thiazole?
The canonical SMILES for (4E,5E)-5-(3,5-dimethylhexylidene)-4-ethylidene-2-methyl-1,3-thiazole is C/C=c1/nc(C)s/c1=C/CC(C)CC(C)C.
What is the InChIKey of (4E,5E)-5-(3,5-dimethylhexylidene)-4-ethylidene-2-methyl-1,3-thiazole?
The InChIKey is UYEPKBXFGOUYDN-HKAZRAOBSA-N. The full InChI is InChI=1S/C14H23NS/c1-6-13-14(16-12(5)15-13)8-7-11(4)9-10(2)3/h6,8,10-11H,7,9H2,1-5H3/b13-6+,14-8+.
What are the key properties of (4E,5E)-5-(3,5-dimethylhexylidene)-4-ethylidene-2-methyl-1,3-thiazole?
(4E,5E)-5-(3,5-dimethylhexylidene)-4-ethylidene-2-methyl-1,3-thiazole has a molecular weight of 237.41 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-5-(3,5-dimethylhexylidene)-4-ethylidene-2-methyl-1,3-thiazole is sourced from PubChem (CID 70894710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).