2-but-2-en-2-yl-5-[2-(4-methylphenyl)ethyl]-1,3,4-thiadiazole

C15H18N2S — CID 145132890

IUPAC2-but-2-en-2-yl-5-[2-(4-methylphenyl)ethyl]-1,3,4-thiadiazole
SMILESCC=C(C)c1nnc(CCc2ccc(C)cc2)s1
InChIInChI=1S/C15H18N2S/c1-4-12(3)15-17-16-14(18-15)10-9-13-7-5-11(2)6-8-13/h4-8H,9-10H2,1-3H3
InChIKeyNENYVKCLFLKXQF-UHFFFAOYSA-N
MW258.39 g/mol
LogP4.05
Rot. Bonds4

About 2-but-2-en-2-yl-5-[2-(4-methylphenyl)ethyl]-1,3,4-thiadiazole

2-but-2-en-2-yl-5-[2-(4-methylphenyl)ethyl]-1,3,4-thiadiazole (PubChem CID 145132890) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 2-but-2-en-2-yl-5-[2-(4-methylphenyl)ethyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-but-2-en-2-yl-5-[2-(4-methylphenyl)ethyl]-1,3,4-thiadiazole
PubChem CID145132890
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name2-but-2-en-2-yl-5-[2-(4-methylphenyl)ethyl]-1,3,4-thiadiazole
SMILESCC=C(C)c1nnc(CCc2ccc(C)cc2)s1
InChIInChI=1S/C15H18N2S/c1-4-12(3)15-17-16-14(18-15)10-9-13-7-5-11(2)6-8-13/h4-8H,9-10H2,1-3H3
InChIKeyNENYVKCLFLKXQF-UHFFFAOYSA-N
XLogP4.05
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-bromophenyl)ethyl]-5-methyl-1,3,4-thiadiazole
CID 82489511
4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]aniline
CID 82472446
1-but-2-en-2-yl-4-methylbenzene
CID 12583115
1-[(Z)-but-2-en-2-yl]-4-methylbenzene
CID 58843251
1,4-bis[2-(4-methylphenyl)ethyl]benzene;fluoromethane
CID 91266439
2-bromo-5-[2-(3-methylphenyl)ethyl]-1,3,4-thiadiazole
CID 63384132
1-methyl-4-[2-[4-[4-(4-methylphenyl)butyl]phenyl]ethyl]benzene
CID 4174966
4-ethyl-2-[2-(4-methylphenyl)ethyl]-1,3-thiazole-5-carboxylic acid
CID 83971326
5-[[benzyl(methyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 34944645
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)acetamide
CID 18198073
5-[[3-(4-methoxyphenyl)propanoylamino]methyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 53099821
1-fluoro-4-methylbenzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene
CID 144561335

Frequently Asked Questions

What is the IUPAC name of 2-but-2-en-2-yl-5-[2-(4-methylphenyl)ethyl]-1,3,4-thiadiazole?
The IUPAC name of 2-but-2-en-2-yl-5-[2-(4-methylphenyl)ethyl]-1,3,4-thiadiazole (CID 145132890) is 2-but-2-en-2-yl-5-[2-(4-methylphenyl)ethyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-but-2-en-2-yl-5-[2-(4-methylphenyl)ethyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-but-2-en-2-yl-5-[2-(4-methylphenyl)ethyl]-1,3,4-thiadiazole is CC=C(C)c1nnc(CCc2ccc(C)cc2)s1.
What is the InChIKey of 2-but-2-en-2-yl-5-[2-(4-methylphenyl)ethyl]-1,3,4-thiadiazole?
The InChIKey is NENYVKCLFLKXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-4-12(3)15-17-16-14(18-15)10-9-13-7-5-11(2)6-8-13/h4-8H,9-10H2,1-3H3.
What are the key properties of 2-but-2-en-2-yl-5-[2-(4-methylphenyl)ethyl]-1,3,4-thiadiazole?
2-but-2-en-2-yl-5-[2-(4-methylphenyl)ethyl]-1,3,4-thiadiazole has a molecular weight of 258.39 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-2-en-2-yl-5-[2-(4-methylphenyl)ethyl]-1,3,4-thiadiazole is sourced from PubChem (CID 145132890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).