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

C14H8Cl2N2S — CID 1201577

IUPAC2,5-bis(4-chlorophenyl)-1,3,4-thiadiazole
SMILESClc1ccc(-c2nnc(-c3ccc(Cl)cc3)s2)cc1
InChIInChI=1S/C14H8Cl2N2S/c15-11-5-1-9(2-6-11)13-17-18-14(19-13)10-3-7-12(16)8-4-10/h1-8H
InChIKeyPIWVDSXDGARDHB-UHFFFAOYSA-N
MW307.21 g/mol
LogP5.18
Rot. Bonds2

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

2,5-bis(4-chlorophenyl)-1,3,4-thiadiazole (PubChem CID 1201577) has the molecular formula C14H8Cl2N2S and a molecular weight of 307.21 g/mol. Its IUPAC name is 2,5-bis(4-chlorophenyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2,5-bis(4-chlorophenyl)-1,3,4-thiadiazole
PubChem CID1201577
Molecular FormulaC14H8Cl2N2S
Molecular Weight307.21 g/mol
Exact Mass305.98
IUPAC Name2,5-bis(4-chlorophenyl)-1,3,4-thiadiazole
SMILESClc1ccc(-c2nnc(-c3ccc(Cl)cc3)s2)cc1
InChIInChI=1S/C14H8Cl2N2S/c15-11-5-1-9(2-6-11)13-17-18-14(19-13)10-3-7-12(16)8-4-10/h1-8H
InChIKeyPIWVDSXDGARDHB-UHFFFAOYSA-N
XLogP5.18
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.21
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(4-chlorophenyl)-1,3,4-thiadiazole?
The IUPAC name of 2,5-bis(4-chlorophenyl)-1,3,4-thiadiazole (CID 1201577) is 2,5-bis(4-chlorophenyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2,5-bis(4-chlorophenyl)-1,3,4-thiadiazole?
The canonical SMILES for 2,5-bis(4-chlorophenyl)-1,3,4-thiadiazole is Clc1ccc(-c2nnc(-c3ccc(Cl)cc3)s2)cc1.
What is the InChIKey of 2,5-bis(4-chlorophenyl)-1,3,4-thiadiazole?
The InChIKey is PIWVDSXDGARDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2S/c15-11-5-1-9(2-6-11)13-17-18-14(19-13)10-3-7-12(16)8-4-10/h1-8H.
What are the key properties of 2,5-bis(4-chlorophenyl)-1,3,4-thiadiazole?
2,5-bis(4-chlorophenyl)-1,3,4-thiadiazole has a molecular weight of 307.21 g/mol, XLogP of 5.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(4-chlorophenyl)-1,3,4-thiadiazole is sourced from PubChem (CID 1201577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).