N-(3-chloro-4-fluorophenyl)-5-pyridin-3-yl-1,3,4-thiadiazol-2-amine

C13H8ClFN4S — CID 1258107

IUPACN-(3-chloro-4-fluorophenyl)-5-pyridin-3-yl-1,3,4-thiadiazol-2-amine
SMILESFc1ccc(Nc2nnc(-c3cccnc3)s2)cc1Cl
InChIInChI=1S/C13H8ClFN4S/c14-10-6-9(3-4-11(10)15)17-13-19-18-12(20-13)8-2-1-5-16-7-8/h1-7H,(H,17,19)
InChIKeyPISXVEVABHIBNK-UHFFFAOYSA-N
MW306.75 g/mol
LogP4.14
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-5-pyridin-3-yl-1,3,4-thiadiazol-2-amine

N-(3-chloro-4-fluorophenyl)-5-pyridin-3-yl-1,3,4-thiadiazol-2-amine (PubChem CID 1258107) has the molecular formula C13H8ClFN4S and a molecular weight of 306.75 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-5-pyridin-3-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-5-pyridin-3-yl-1,3,4-thiadiazol-2-amine
PubChem CID1258107
Molecular FormulaC13H8ClFN4S
Molecular Weight306.75 g/mol
Exact Mass306.01
IUPAC NameN-(3-chloro-4-fluorophenyl)-5-pyridin-3-yl-1,3,4-thiadiazol-2-amine
SMILESFc1ccc(Nc2nnc(-c3cccnc3)s2)cc1Cl
InChIInChI=1S/C13H8ClFN4S/c14-10-6-9(3-4-11(10)15)17-13-19-18-12(20-13)8-2-1-5-16-7-8/h1-7H,(H,17,19)
InChIKeyPISXVEVABHIBNK-UHFFFAOYSA-N
XLogP4.14
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-5-pyridin-3-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-5-pyridin-3-yl-1,3,4-thiadiazol-2-amine (CID 1258107) is N-(3-chloro-4-fluorophenyl)-5-pyridin-3-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-5-pyridin-3-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-5-pyridin-3-yl-1,3,4-thiadiazol-2-amine is Fc1ccc(Nc2nnc(-c3cccnc3)s2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-5-pyridin-3-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is PISXVEVABHIBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN4S/c14-10-6-9(3-4-11(10)15)17-13-19-18-12(20-13)8-2-1-5-16-7-8/h1-7H,(H,17,19).
What are the key properties of N-(3-chloro-4-fluorophenyl)-5-pyridin-3-yl-1,3,4-thiadiazol-2-amine?
N-(3-chloro-4-fluorophenyl)-5-pyridin-3-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 306.75 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-5-pyridin-3-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 1258107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).