5-(2-chlorophenyl)-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine

C14H9ClFN3S — CID 627717

IUPAC5-(2-chlorophenyl)-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine
SMILESFc1ccc(Nc2nnc(-c3ccccc3Cl)s2)cc1
InChIInChI=1S/C14H9ClFN3S/c15-12-4-2-1-3-11(12)13-18-19-14(20-13)17-10-7-5-9(16)6-8-10/h1-8H,(H,17,19)
InChIKeyBDOIVUKRGABPAH-UHFFFAOYSA-N
MW305.77 g/mol
LogP4.74
Rot. Bonds3

About 5-(2-chlorophenyl)-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine

5-(2-chlorophenyl)-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 627717) has the molecular formula C14H9ClFN3S and a molecular weight of 305.77 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine
PubChem CID627717
Molecular FormulaC14H9ClFN3S
Molecular Weight305.77 g/mol
Exact Mass305.02
IUPAC Name5-(2-chlorophenyl)-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine
SMILESFc1ccc(Nc2nnc(-c3ccccc3Cl)s2)cc1
InChIInChI=1S/C14H9ClFN3S/c15-12-4-2-1-3-11(12)13-18-19-14(20-13)17-10-7-5-9(16)6-8-10/h1-8H,(H,17,19)
InChIKeyBDOIVUKRGABPAH-UHFFFAOYSA-N
XLogP4.74
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-chlorophenyl)-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine (CID 627717) is 5-(2-chlorophenyl)-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-chlorophenyl)-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-chlorophenyl)-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine is Fc1ccc(Nc2nnc(-c3ccccc3Cl)s2)cc1.
What is the InChIKey of 5-(2-chlorophenyl)-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is BDOIVUKRGABPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3S/c15-12-4-2-1-3-11(12)13-18-19-14(20-13)17-10-7-5-9(16)6-8-10/h1-8H,(H,17,19).
What are the key properties of 5-(2-chlorophenyl)-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine?
5-(2-chlorophenyl)-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 305.77 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 627717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).