2-(4-chlorophenyl)-5-propyl-1,3,4-thiadiazole

C11H11ClN2S — CID 134956045

IUPAC2-(4-chlorophenyl)-5-propyl-1,3,4-thiadiazole
SMILESCCCc1nnc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C11H11ClN2S/c1-2-3-10-13-14-11(15-10)8-4-6-9(12)7-5-8/h4-7H,2-3H2,1H3
InChIKeyXCCMDXARLKCPSH-UHFFFAOYSA-N
MW238.74 g/mol
LogP3.81
Rot. Bonds3

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

2-(4-chlorophenyl)-5-propyl-1,3,4-thiadiazole (PubChem CID 134956045) has the molecular formula C11H11ClN2S and a molecular weight of 238.74 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-propyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-propyl-1,3,4-thiadiazole
PubChem CID134956045
Molecular FormulaC11H11ClN2S
Molecular Weight238.74 g/mol
Exact Mass238.03
IUPAC Name2-(4-chlorophenyl)-5-propyl-1,3,4-thiadiazole
SMILESCCCc1nnc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C11H11ClN2S/c1-2-3-10-13-14-11(15-10)8-4-6-9(12)7-5-8/h4-7H,2-3H2,1H3
InChIKeyXCCMDXARLKCPSH-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-amine
CID 668392
2-Methyl-5-phenyl-1,3,4-thiadiazole
CID 97425
2-Chloro-5-phenyl-1,3,4-thiadiazole
CID 253145
2-Chloro-5-(4-chlorophenyl)-1,3,4-thiadiazole
CID 13318775
1,3,4-Thiadiazole, 5-(4-chlorophenyl)-2-(dimethylamino)-
CID 3039977
Sbb059609
CID 2769382
2-(Chloromethyl)-5-phenyl-1,3,4-thiadiazole
CID 12514511
2-[(4-Chlorophenyl)methylsulfonylmethyl]-5-phenyl-1,3,4-thiadiazole
CID 42630851
2-[5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-yl]guanidine;hydrochloride
CID 45263106
1,3,4-Thiadiazole, 2-isopropyl-5-phenyl-
CID 605161
2-(4-Chlorophenyl)-1,3,4-thiadiazole
CID 12480365
2-Bromo-5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazole
CID 63383843

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-propyl-1,3,4-thiadiazole?
The IUPAC name of 2-(4-chlorophenyl)-5-propyl-1,3,4-thiadiazole (CID 134956045) is 2-(4-chlorophenyl)-5-propyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-propyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-propyl-1,3,4-thiadiazole is CCCc1nnc(-c2ccc(Cl)cc2)s1.
What is the InChIKey of 2-(4-chlorophenyl)-5-propyl-1,3,4-thiadiazole?
The InChIKey is XCCMDXARLKCPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2S/c1-2-3-10-13-14-11(15-10)8-4-6-9(12)7-5-8/h4-7H,2-3H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-5-propyl-1,3,4-thiadiazole?
2-(4-chlorophenyl)-5-propyl-1,3,4-thiadiazole has a molecular weight of 238.74 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-propyl-1,3,4-thiadiazole is sourced from PubChem (CID 134956045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).