N-phenyl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine

C13H10N4S — CID 840345

IUPACN-phenyl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine
SMILESc1ccc(Nc2nnc(-c3ccncc3)s2)cc1
InChIInChI=1S/C13H10N4S/c1-2-4-11(5-3-1)15-13-17-16-12(18-13)10-6-8-14-9-7-10/h1-9H,(H,15,17)
InChIKeyIHOLNTAGGWSDRD-UHFFFAOYSA-N
MW254.32 g/mol
LogP3.34
Rot. Bonds3

About N-phenyl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine

N-phenyl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine (PubChem CID 840345) has the molecular formula C13H10N4S and a molecular weight of 254.32 g/mol. Its IUPAC name is N-phenyl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-phenyl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine
PubChem CID840345
Molecular FormulaC13H10N4S
Molecular Weight254.32 g/mol
Exact Mass254.06
IUPAC NameN-phenyl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine
SMILESc1ccc(Nc2nnc(-c3ccncc3)s2)cc1
InChIInChI=1S/C13H10N4S/c1-2-4-11(5-3-1)15-13-17-16-12(18-13)10-6-8-14-9-7-10/h1-9H,(H,15,17)
InChIKeyIHOLNTAGGWSDRD-UHFFFAOYSA-N
XLogP3.34
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-phenyl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine (CID 840345) is N-phenyl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-phenyl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-phenyl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine is c1ccc(Nc2nnc(-c3ccncc3)s2)cc1.
What is the InChIKey of N-phenyl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is IHOLNTAGGWSDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4S/c1-2-4-11(5-3-1)15-13-17-16-12(18-13)10-6-8-14-9-7-10/h1-9H,(H,15,17).
What are the key properties of N-phenyl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine?
N-phenyl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 254.32 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 840345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).