5-(2-chlorophenyl)-3-methyl-2H-1,3,4-thiadiazole

C9H9ClN2S — CID 141152066

IUPAC5-(2-chlorophenyl)-3-methyl-2H-1,3,4-thiadiazole
SMILESCN1CSC(c2ccccc2Cl)=N1
InChIInChI=1S/C9H9ClN2S/c1-12-6-13-9(11-12)7-4-2-3-5-8(7)10/h2-5H,6H2,1H3
InChIKeyOBFCCEUPHWBIFY-UHFFFAOYSA-N
MW212.71 g/mol
LogP2.64
Rot. Bonds1

About 5-(2-chlorophenyl)-3-methyl-2H-1,3,4-thiadiazole

5-(2-chlorophenyl)-3-methyl-2H-1,3,4-thiadiazole (PubChem CID 141152066) has the molecular formula C9H9ClN2S and a molecular weight of 212.71 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-3-methyl-2H-1,3,4-thiadiazole.

Molecular Properties

Compound Name5-(2-chlorophenyl)-3-methyl-2H-1,3,4-thiadiazole
PubChem CID141152066
Molecular FormulaC9H9ClN2S
Molecular Weight212.71 g/mol
Exact Mass212.02
IUPAC Name5-(2-chlorophenyl)-3-methyl-2H-1,3,4-thiadiazole
SMILESCN1CSC(c2ccccc2Cl)=N1
InChIInChI=1S/C9H9ClN2S/c1-12-6-13-9(11-12)7-4-2-3-5-8(7)10/h2-5H,6H2,1H3
InChIKeyOBFCCEUPHWBIFY-UHFFFAOYSA-N
XLogP2.64
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.71
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-chlorophenyl)-2-methyl-4H-pyrazol-3-one
CID 53438199
6-tert-butyl-3-(2-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 934038
3,5-bis(2,3-dichlorophenyl)-4-methyl-1,2,4-triazole
CID 11617680
3-(2-chlorophenyl)-4-methyl-5-[(1R)-1-phenylethyl]sulfanyl-1,2,4-triazole
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2-(2-chlorophenyl)-4-[4-(4-methylphenyl)phenyl]-4,5-dihydro-1,3-thiazole
CID 20668729
5-(2-chlorophenyl)-1-methyl-2,3-dihydropyrrole
CID 102036798
1-chloro-2-[2-[2-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 171525544
3,4-bis(2-chlorophenyl)-2,5-dihydroselenophene
CID 134982285
1-chloro-2-phenylbenzene;phosphorous acid
CID 174579348
[5-(2-chlorophenyl)-1-pentyltriazol-4-yl]methanol
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3-(4-tert-butylphenyl)-6-(2-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
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azane;1,2-dichlorobenzene
CID 70584322

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-3-methyl-2H-1,3,4-thiadiazole?
The IUPAC name of 5-(2-chlorophenyl)-3-methyl-2H-1,3,4-thiadiazole (CID 141152066) is 5-(2-chlorophenyl)-3-methyl-2H-1,3,4-thiadiazole.
What is the SMILES notation for 5-(2-chlorophenyl)-3-methyl-2H-1,3,4-thiadiazole?
The canonical SMILES for 5-(2-chlorophenyl)-3-methyl-2H-1,3,4-thiadiazole is CN1CSC(c2ccccc2Cl)=N1.
What is the InChIKey of 5-(2-chlorophenyl)-3-methyl-2H-1,3,4-thiadiazole?
The InChIKey is OBFCCEUPHWBIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2S/c1-12-6-13-9(11-12)7-4-2-3-5-8(7)10/h2-5H,6H2,1H3.
What are the key properties of 5-(2-chlorophenyl)-3-methyl-2H-1,3,4-thiadiazole?
5-(2-chlorophenyl)-3-methyl-2H-1,3,4-thiadiazole has a molecular weight of 212.71 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-3-methyl-2H-1,3,4-thiadiazole is sourced from PubChem (CID 141152066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).