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

C17H12N4S — CID 1090779

IUPACN-naphthalen-1-yl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine
SMILESc1ccc2c(Nc3nnc(-c4ccncc4)s3)cccc2c1
InChIInChI=1S/C17H12N4S/c1-2-6-14-12(4-1)5-3-7-15(14)19-17-21-20-16(22-17)13-8-10-18-11-9-13/h1-11H,(H,19,21)
InChIKeyFNNACNWDEVQPDH-UHFFFAOYSA-N
MW304.38 g/mol
LogP4.50
Rot. Bonds3

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

N-naphthalen-1-yl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine (PubChem CID 1090779) has the molecular formula C17H12N4S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-naphthalen-1-yl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine
PubChem CID1090779
Molecular FormulaC17H12N4S
Molecular Weight304.38 g/mol
Exact Mass304.08
IUPAC NameN-naphthalen-1-yl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine
SMILESc1ccc2c(Nc3nnc(-c4ccncc4)s3)cccc2c1
InChIInChI=1S/C17H12N4S/c1-2-6-14-12(4-1)5-3-7-15(14)19-17-21-20-16(22-17)13-8-10-18-11-9-13/h1-11H,(H,19,21)
InChIKeyFNNACNWDEVQPDH-UHFFFAOYSA-N
XLogP4.50
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-naphthalen-1-yl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine (CID 1090779) is N-naphthalen-1-yl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-naphthalen-1-yl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-naphthalen-1-yl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine is c1ccc2c(Nc3nnc(-c4ccncc4)s3)cccc2c1.
What is the InChIKey of N-naphthalen-1-yl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is FNNACNWDEVQPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4S/c1-2-6-14-12(4-1)5-3-7-15(14)19-17-21-20-16(22-17)13-8-10-18-11-9-13/h1-11H,(H,19,21).
What are the key properties of N-naphthalen-1-yl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine?
N-naphthalen-1-yl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 304.38 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 1090779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).