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

C14H11BrN4S2 — CID 35194362

IUPACN-(3-bromophenyl)-5-(pyridin-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESBrc1cccc(Nc2nnc(SCc3cccnc3)s2)c1
InChIInChI=1S/C14H11BrN4S2/c15-11-4-1-5-12(7-11)17-13-18-19-14(21-13)20-9-10-3-2-6-16-8-10/h1-8H,9H2,(H,17,18)
InChIKeyMUZAPANEGTWLEA-UHFFFAOYSA-N
MW379.31 g/mol
LogP4.73
Rot. Bonds5

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

N-(3-bromophenyl)-5-(pyridin-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine (PubChem CID 35194362) has the molecular formula C14H11BrN4S2 and a molecular weight of 379.31 g/mol. Its IUPAC name is N-(3-bromophenyl)-5-(pyridin-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-5-(pyridin-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
PubChem CID35194362
Molecular FormulaC14H11BrN4S2
Molecular Weight379.31 g/mol
Exact Mass377.96
IUPAC NameN-(3-bromophenyl)-5-(pyridin-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESBrc1cccc(Nc2nnc(SCc3cccnc3)s2)c1
InChIInChI=1S/C14H11BrN4S2/c15-11-4-1-5-12(7-11)17-13-18-19-14(21-13)20-9-10-3-2-6-16-8-10/h1-8H,9H2,(H,17,18)
InChIKeyMUZAPANEGTWLEA-UHFFFAOYSA-N
XLogP4.73
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.31
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-5-(pyridin-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(3-bromophenyl)-5-(pyridin-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine (CID 35194362) is N-(3-bromophenyl)-5-(pyridin-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(3-bromophenyl)-5-(pyridin-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(3-bromophenyl)-5-(pyridin-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine is Brc1cccc(Nc2nnc(SCc3cccnc3)s2)c1.
What is the InChIKey of N-(3-bromophenyl)-5-(pyridin-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is MUZAPANEGTWLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4S2/c15-11-4-1-5-12(7-11)17-13-18-19-14(21-13)20-9-10-3-2-6-16-8-10/h1-8H,9H2,(H,17,18).
What are the key properties of N-(3-bromophenyl)-5-(pyridin-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
N-(3-bromophenyl)-5-(pyridin-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 379.31 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-5-(pyridin-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 35194362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).