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

C13H9BrN4S — CID 5270808

IUPACN-(4-bromophenyl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine
SMILESBrc1ccc(Nc2nnc(-c3ccncc3)s2)cc1
InChIInChI=1S/C13H9BrN4S/c14-10-1-3-11(4-2-10)16-13-18-17-12(19-13)9-5-7-15-8-6-9/h1-8H,(H,16,18)
InChIKeyRUZWPWIFEXPGGF-UHFFFAOYSA-N
MW333.21 g/mol
LogP4.11
Rot. Bonds3

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

N-(4-bromophenyl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine (PubChem CID 5270808) has the molecular formula C13H9BrN4S and a molecular weight of 333.21 g/mol. Its IUPAC name is N-(4-bromophenyl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine
PubChem CID5270808
Molecular FormulaC13H9BrN4S
Molecular Weight333.21 g/mol
Exact Mass331.97
IUPAC NameN-(4-bromophenyl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine
SMILESBrc1ccc(Nc2nnc(-c3ccncc3)s2)cc1
InChIInChI=1S/C13H9BrN4S/c14-10-1-3-11(4-2-10)16-13-18-17-12(19-13)9-5-7-15-8-6-9/h1-8H,(H,16,18)
InChIKeyRUZWPWIFEXPGGF-UHFFFAOYSA-N
XLogP4.11
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.21
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(4-bromophenyl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine (CID 5270808) is N-(4-bromophenyl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(4-bromophenyl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(4-bromophenyl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine is Brc1ccc(Nc2nnc(-c3ccncc3)s2)cc1.
What is the InChIKey of N-(4-bromophenyl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is RUZWPWIFEXPGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN4S/c14-10-1-3-11(4-2-10)16-13-18-17-12(19-13)9-5-7-15-8-6-9/h1-8H,(H,16,18).
What are the key properties of N-(4-bromophenyl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine?
N-(4-bromophenyl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 333.21 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 5270808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).