2-chloro-5-[2-(3-methylphenyl)ethyl]-1,3,4-thiadiazole

C11H11ClN2S — CID 63386259

IUPAC2-chloro-5-[2-(3-methylphenyl)ethyl]-1,3,4-thiadiazole
SMILESCc1cccc(CCc2nnc(Cl)s2)c1
InChIInChI=1S/C11H11ClN2S/c1-8-3-2-4-9(7-8)5-6-10-13-14-11(12)15-10/h2-4,7H,5-6H2,1H3
InChIKeyLTNWTRTYSXIGKC-UHFFFAOYSA-N
MW238.74 g/mol
LogP3.29
Rot. Bonds3

About 2-chloro-5-[2-(3-methylphenyl)ethyl]-1,3,4-thiadiazole

2-chloro-5-[2-(3-methylphenyl)ethyl]-1,3,4-thiadiazole (PubChem CID 63386259) has the molecular formula C11H11ClN2S and a molecular weight of 238.74 g/mol. Its IUPAC name is 2-chloro-5-[2-(3-methylphenyl)ethyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-chloro-5-[2-(3-methylphenyl)ethyl]-1,3,4-thiadiazole
PubChem CID63386259
Molecular FormulaC11H11ClN2S
Molecular Weight238.74 g/mol
Exact Mass238.03
IUPAC Name2-chloro-5-[2-(3-methylphenyl)ethyl]-1,3,4-thiadiazole
SMILESCc1cccc(CCc2nnc(Cl)s2)c1
InChIInChI=1S/C11H11ClN2S/c1-8-3-2-4-9(7-8)5-6-10-13-14-11(12)15-10/h2-4,7H,5-6H2,1H3
InChIKeyLTNWTRTYSXIGKC-UHFFFAOYSA-N
XLogP3.29
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.74
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-[2-(3-methylphenyl)ethyl]-1,3,4-thiadiazole
CID 63384132
2-(2-chloroethyl)-5-[2-(3-methylphenyl)ethyl]-1,3,4-oxadiazole
CID 62365336
1-(3-methylphenyl)-3-[5-[4-[5-[3-(3-methylphenyl)-2-oxopropyl]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]propan-2-one
CID 147109926
2-chloro-5-[(3-chlorophenyl)methoxymethyl]-1,3,4-thiadiazole
CID 80607272
1-methyl-2-[2-(3-methylphenyl)ethyl]benzene
CID 13419836
1-methyl-3-[8-(3-methylphenyl)octyl]benzene
CID 22920080
3-chloro-5-methyl-4-[2-(3-methylphenyl)ethyl]-1,2,4-triazole
CID 63385719
2-(3-methylphenyl)ethanolate
CID 142208639
1-butyl-3-methylbenzene;ethane;propane
CID 142068173
3-chloro-N-[2-(3-methylphenyl)ethyl]aniline
CID 68835949
2-chloro-5-[(3-methylphenyl)methylsulfanylmethyl]-1,3-thiazole
CID 79770670
N-[4-(3-methylphenyl)butan-2-yl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260764

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[2-(3-methylphenyl)ethyl]-1,3,4-thiadiazole?
The IUPAC name of 2-chloro-5-[2-(3-methylphenyl)ethyl]-1,3,4-thiadiazole (CID 63386259) is 2-chloro-5-[2-(3-methylphenyl)ethyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-chloro-5-[2-(3-methylphenyl)ethyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-chloro-5-[2-(3-methylphenyl)ethyl]-1,3,4-thiadiazole is Cc1cccc(CCc2nnc(Cl)s2)c1.
What is the InChIKey of 2-chloro-5-[2-(3-methylphenyl)ethyl]-1,3,4-thiadiazole?
The InChIKey is LTNWTRTYSXIGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2S/c1-8-3-2-4-9(7-8)5-6-10-13-14-11(12)15-10/h2-4,7H,5-6H2,1H3.
What are the key properties of 2-chloro-5-[2-(3-methylphenyl)ethyl]-1,3,4-thiadiazole?
2-chloro-5-[2-(3-methylphenyl)ethyl]-1,3,4-thiadiazole has a molecular weight of 238.74 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[2-(3-methylphenyl)ethyl]-1,3,4-thiadiazole is sourced from PubChem (CID 63386259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).