2-(3-chloro-2-ethylphenyl)-1,3,4-thiadiazole

C10H9ClN2S — CID 130052608

IUPAC2-(3-chloro-2-ethylphenyl)-1,3,4-thiadiazole
SMILESCCc1c(Cl)cccc1-c1nncs1
InChIInChI=1S/C10H9ClN2S/c1-2-7-8(4-3-5-9(7)11)10-13-12-6-14-10/h3-6H,2H2,1H3
InChIKeyDACVXVLTJAJWMH-UHFFFAOYSA-N
MW224.72 g/mol
LogP3.42
Rot. Bonds2

About 2-(3-chloro-2-ethylphenyl)-1,3,4-thiadiazole

2-(3-chloro-2-ethylphenyl)-1,3,4-thiadiazole (PubChem CID 130052608) has the molecular formula C10H9ClN2S and a molecular weight of 224.72 g/mol. Its IUPAC name is 2-(3-chloro-2-ethylphenyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(3-chloro-2-ethylphenyl)-1,3,4-thiadiazole
PubChem CID130052608
Molecular FormulaC10H9ClN2S
Molecular Weight224.72 g/mol
Exact Mass224.02
IUPAC Name2-(3-chloro-2-ethylphenyl)-1,3,4-thiadiazole
SMILESCCc1c(Cl)cccc1-c1nncs1
InChIInChI=1S/C10H9ClN2S/c1-2-7-8(4-3-5-9(7)11)10-13-12-6-14-10/h3-6H,2H2,1H3
InChIKeyDACVXVLTJAJWMH-UHFFFAOYSA-N
XLogP3.42
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.72
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-3-ethylphenyl)-1,3,4-thiadiazole
CID 130052576
2-(2-chloro-3-fluorophenyl)-1,3,4-thiadiazole
CID 130052550
2-(1,3,4-thiadiazol-2-yl)aniline
CID 21271879
2-(1,3,4-thiadiazol-2-yl)phenol
CID 135744207
2-(3-fluoro-2-methoxyphenyl)-1,3,4-thiadiazole
CID 130052506
2-(2-fluoro-3-pyridinyl)-1,3,4-thiadiazole
CID 137347251
N-[[2-chloro-6-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methyl]-2-methylpropan-1-amine
CID 63806514
1-bromo-3-chloro-2-ethylbenzene
CID 54267312
2-(3-chloro-2-ethylphenyl)-[1,3]oxazolo[4,5-b]pyridine
CID 151529982
2-(4-tert-butyl-3-pyridinyl)-1,3,4-thiadiazole
CID 165372247
1,2-dichloro-4-ethylbenzene;1,3-dichloro-2-ethylbenzene;methane
CID 158320021
(3-chloro-2-ethylphenyl)methanol
CID 118269686

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-ethylphenyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(3-chloro-2-ethylphenyl)-1,3,4-thiadiazole (CID 130052608) is 2-(3-chloro-2-ethylphenyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(3-chloro-2-ethylphenyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(3-chloro-2-ethylphenyl)-1,3,4-thiadiazole is CCc1c(Cl)cccc1-c1nncs1.
What is the InChIKey of 2-(3-chloro-2-ethylphenyl)-1,3,4-thiadiazole?
The InChIKey is DACVXVLTJAJWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2S/c1-2-7-8(4-3-5-9(7)11)10-13-12-6-14-10/h3-6H,2H2,1H3.
What are the key properties of 2-(3-chloro-2-ethylphenyl)-1,3,4-thiadiazole?
2-(3-chloro-2-ethylphenyl)-1,3,4-thiadiazole has a molecular weight of 224.72 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-ethylphenyl)-1,3,4-thiadiazole is sourced from PubChem (CID 130052608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).