4-(2-chloro-4-methylphenyl)-5-methylthiadiazole

C10H9ClN2S — CID 71017980

IUPAC4-(2-chloro-4-methylphenyl)-5-methylthiadiazole
SMILESCc1ccc(-c2nnsc2C)c(Cl)c1
InChIInChI=1S/C10H9ClN2S/c1-6-3-4-8(9(11)5-6)10-7(2)14-13-12-10/h3-5H,1-2H3
InChIKeyMEAUPYREQSLKQY-UHFFFAOYSA-N
MW224.72 g/mol
LogP3.48
Rot. Bonds1

About 4-(2-chloro-4-methylphenyl)-5-methylthiadiazole

4-(2-chloro-4-methylphenyl)-5-methylthiadiazole (PubChem CID 71017980) has the molecular formula C10H9ClN2S and a molecular weight of 224.72 g/mol. Its IUPAC name is 4-(2-chloro-4-methylphenyl)-5-methylthiadiazole.

Molecular Properties

Compound Name4-(2-chloro-4-methylphenyl)-5-methylthiadiazole
PubChem CID71017980
Molecular FormulaC10H9ClN2S
Molecular Weight224.72 g/mol
Exact Mass224.02
IUPAC Name4-(2-chloro-4-methylphenyl)-5-methylthiadiazole
SMILESCc1ccc(-c2nnsc2C)c(Cl)c1
InChIInChI=1S/C10H9ClN2S/c1-6-3-4-8(9(11)5-6)10-7(2)14-13-12-10/h3-5H,1-2H3
InChIKeyMEAUPYREQSLKQY-UHFFFAOYSA-N
XLogP3.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.72
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,4-dichlorophenyl)-5-(4-methylphenyl)sulfinylthiadiazole
CID 1474067
2,5-bis(2-chloro-4-methylphenyl)-1,3,4-oxadiazole
CID 59937379
4-(2-chloro-4-methylphenyl)pyridine
CID 46317056
1,2-dichloro-4-methylbenzene;zinc
CID 174694337
4-[3-(2-chloro-4-methylphenyl)pyrazin-2-yl]aniline
CID 126561564
3-[5-(2-chloro-4-methylphenyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 106864411
4-bromo-2-(2-chloro-4-methylphenyl)-1,3-thiazole
CID 142618257
4-bromo-3-(2,4-dichlorophenyl)-5-methyl-1,2-thiazole
CID 22087237
2-chloro-5-(2-chloro-4-methylphenyl)phenol
CID 53221345
3-(chloromethyl)-5-(2-chloro-4-methylphenyl)-4-methyl-1,2,4-triazole
CID 106864685
5-(2-chloro-4-methylphenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 106860889
N-[[4-(2,4-dichlorophenyl)thiadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 65209016

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-methylphenyl)-5-methylthiadiazole?
The IUPAC name of 4-(2-chloro-4-methylphenyl)-5-methylthiadiazole (CID 71017980) is 4-(2-chloro-4-methylphenyl)-5-methylthiadiazole.
What is the SMILES notation for 4-(2-chloro-4-methylphenyl)-5-methylthiadiazole?
The canonical SMILES for 4-(2-chloro-4-methylphenyl)-5-methylthiadiazole is Cc1ccc(-c2nnsc2C)c(Cl)c1.
What is the InChIKey of 4-(2-chloro-4-methylphenyl)-5-methylthiadiazole?
The InChIKey is MEAUPYREQSLKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2S/c1-6-3-4-8(9(11)5-6)10-7(2)14-13-12-10/h3-5H,1-2H3.
What are the key properties of 4-(2-chloro-4-methylphenyl)-5-methylthiadiazole?
4-(2-chloro-4-methylphenyl)-5-methylthiadiazole has a molecular weight of 224.72 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-methylphenyl)-5-methylthiadiazole is sourced from PubChem (CID 71017980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).