4-(4-cyclohexa-1,3-dien-1-ylbutyl)-2-ethyl-1,3-thiazole

C15H21NS — CID 129076363

IUPAC4-(4-cyclohexa-1,3-dien-1-ylbutyl)-2-ethyl-1,3-thiazole
SMILESCCc1nc(CCCCC2=CC=CCC2)cs1
InChIInChI=1S/C15H21NS/c1-2-15-16-14(12-17-15)11-7-6-10-13-8-4-3-5-9-13/h3-4,8,12H,2,5-7,9-11H2,1H3
InChIKeySKEUBUSXOYCOPM-UHFFFAOYSA-N
MW247.41 g/mol
LogP4.69
Rot. Bonds6

About 4-(4-cyclohexa-1,3-dien-1-ylbutyl)-2-ethyl-1,3-thiazole

4-(4-cyclohexa-1,3-dien-1-ylbutyl)-2-ethyl-1,3-thiazole (PubChem CID 129076363) has the molecular formula C15H21NS and a molecular weight of 247.41 g/mol. Its IUPAC name is 4-(4-cyclohexa-1,3-dien-1-ylbutyl)-2-ethyl-1,3-thiazole.

Molecular Properties

Compound Name4-(4-cyclohexa-1,3-dien-1-ylbutyl)-2-ethyl-1,3-thiazole
PubChem CID129076363
Molecular FormulaC15H21NS
Molecular Weight247.41 g/mol
Exact Mass247.14
IUPAC Name4-(4-cyclohexa-1,3-dien-1-ylbutyl)-2-ethyl-1,3-thiazole
SMILESCCc1nc(CCCCC2=CC=CCC2)cs1
InChIInChI=1S/C15H21NS/c1-2-15-16-14(12-17-15)11-7-6-10-13-8-4-3-5-9-13/h3-4,8,12H,2,5-7,9-11H2,1H3
InChIKeySKEUBUSXOYCOPM-UHFFFAOYSA-N
XLogP4.69
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-4-pentyl-1,3-thiazole
CID 130290438
2-(2-ethyl-1,3-thiazol-4-yl)ethanol
CID 55264368
(2-ethyl-1,3-thiazol-4-yl)methanethiol
CID 39099702
1-(4-methylpentyl)cyclohexa-1,3-diene
CID 19795456
(4-pentyl-1,3-thiazol-2-yl)methanamine
CID 69371976
2-pentyl-4-propyl-1,3-thiazole
CID 55271530
4-ethyl-2-hexyl-1,3-thiazole
CID 55271529
2-octyl-4-propyl-1,3-thiazole
CID 86124626
4-dodecyl-2-(4-dodecyl-1,3-thiazol-2-yl)-1,3-thiazole
CID 141353675
4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenol
CID 61484157
N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2,2-dimethylpropan-1-amine
CID 115607889
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 86812794

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexa-1,3-dien-1-ylbutyl)-2-ethyl-1,3-thiazole?
The IUPAC name of 4-(4-cyclohexa-1,3-dien-1-ylbutyl)-2-ethyl-1,3-thiazole (CID 129076363) is 4-(4-cyclohexa-1,3-dien-1-ylbutyl)-2-ethyl-1,3-thiazole.
What is the SMILES notation for 4-(4-cyclohexa-1,3-dien-1-ylbutyl)-2-ethyl-1,3-thiazole?
The canonical SMILES for 4-(4-cyclohexa-1,3-dien-1-ylbutyl)-2-ethyl-1,3-thiazole is CCc1nc(CCCCC2=CC=CCC2)cs1.
What is the InChIKey of 4-(4-cyclohexa-1,3-dien-1-ylbutyl)-2-ethyl-1,3-thiazole?
The InChIKey is SKEUBUSXOYCOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NS/c1-2-15-16-14(12-17-15)11-7-6-10-13-8-4-3-5-9-13/h3-4,8,12H,2,5-7,9-11H2,1H3.
What are the key properties of 4-(4-cyclohexa-1,3-dien-1-ylbutyl)-2-ethyl-1,3-thiazole?
4-(4-cyclohexa-1,3-dien-1-ylbutyl)-2-ethyl-1,3-thiazole has a molecular weight of 247.41 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexa-1,3-dien-1-ylbutyl)-2-ethyl-1,3-thiazole is sourced from PubChem (CID 129076363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).