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

C14H9BrClN3S — CID 127033151

IUPACN-(3-bromophenyl)-5-(2-chlorophenyl)-1,3,4-thiadiazol-2-amine
SMILESClc1ccccc1-c1nnc(Nc2cccc(Br)c2)s1
InChIInChI=1S/C14H9BrClN3S/c15-9-4-3-5-10(8-9)17-14-19-18-13(20-14)11-6-1-2-7-12(11)16/h1-8H,(H,17,19)
InChIKeyZULFTCABNPPUQE-UHFFFAOYSA-N
MW366.67 g/mol
LogP5.36
Rot. Bonds3

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

N-(3-bromophenyl)-5-(2-chlorophenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 127033151) has the molecular formula C14H9BrClN3S and a molecular weight of 366.67 g/mol. Its IUPAC name is N-(3-bromophenyl)-5-(2-chlorophenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-5-(2-chlorophenyl)-1,3,4-thiadiazol-2-amine
PubChem CID127033151
Molecular FormulaC14H9BrClN3S
Molecular Weight366.67 g/mol
Exact Mass364.94
IUPAC NameN-(3-bromophenyl)-5-(2-chlorophenyl)-1,3,4-thiadiazol-2-amine
SMILESClc1ccccc1-c1nnc(Nc2cccc(Br)c2)s1
InChIInChI=1S/C14H9BrClN3S/c15-9-4-3-5-10(8-9)17-14-19-18-13(20-14)11-6-1-2-7-12(11)16/h1-8H,(H,17,19)
InChIKeyZULFTCABNPPUQE-UHFFFAOYSA-N
XLogP5.36
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.67
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-5-(2-chlorophenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(3-bromophenyl)-5-(2-chlorophenyl)-1,3,4-thiadiazol-2-amine (CID 127033151) is N-(3-bromophenyl)-5-(2-chlorophenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(3-bromophenyl)-5-(2-chlorophenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(3-bromophenyl)-5-(2-chlorophenyl)-1,3,4-thiadiazol-2-amine is Clc1ccccc1-c1nnc(Nc2cccc(Br)c2)s1.
What is the InChIKey of N-(3-bromophenyl)-5-(2-chlorophenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is ZULFTCABNPPUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClN3S/c15-9-4-3-5-10(8-9)17-14-19-18-13(20-14)11-6-1-2-7-12(11)16/h1-8H,(H,17,19).
What are the key properties of N-(3-bromophenyl)-5-(2-chlorophenyl)-1,3,4-thiadiazol-2-amine?
N-(3-bromophenyl)-5-(2-chlorophenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 366.67 g/mol, XLogP of 5.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-5-(2-chlorophenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 127033151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).