5-bromo-N-[1-(4-bromophenyl)ethyl]-1,3,4-thiadiazol-2-amine

C10H9Br2N3S — CID 64625308

IUPAC5-bromo-N-[1-(4-bromophenyl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCC(Nc1nnc(Br)s1)c1ccc(Br)cc1
InChIInChI=1S/C10H9Br2N3S/c1-6(7-2-4-8(11)5-3-7)13-10-15-14-9(12)16-10/h2-6H,1H3,(H,13,15)
InChIKeyRKPIWQCQQSRHSX-UHFFFAOYSA-N
MW363.08 g/mol
LogP4.24
Rot. Bonds3

About 5-bromo-N-[1-(4-bromophenyl)ethyl]-1,3,4-thiadiazol-2-amine

5-bromo-N-[1-(4-bromophenyl)ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 64625308) has the molecular formula C10H9Br2N3S and a molecular weight of 363.08 g/mol. Its IUPAC name is 5-bromo-N-[1-(4-bromophenyl)ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-[1-(4-bromophenyl)ethyl]-1,3,4-thiadiazol-2-amine
PubChem CID64625308
Molecular FormulaC10H9Br2N3S
Molecular Weight363.08 g/mol
Exact Mass360.89
IUPAC Name5-bromo-N-[1-(4-bromophenyl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCC(Nc1nnc(Br)s1)c1ccc(Br)cc1
InChIInChI=1S/C10H9Br2N3S/c1-6(7-2-4-8(11)5-3-7)13-10-15-14-9(12)16-10/h2-6H,1H3,(H,13,15)
InChIKeyRKPIWQCQQSRHSX-UHFFFAOYSA-N
XLogP4.24
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.08
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[1-(4-fluorophenyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 64624917
5-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 113240474
N-[1-(4-bromophenyl)ethyl]-1,3-benzothiazol-2-amine
CID 60658936
N-[1-(4-fluorophenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 64982704
2-[1-(4-bromophenyl)ethylamino]-4-chloro-1,3-thiazole-5-carbonitrile
CID 106595398
N-[1-(4-bromophenyl)ethyl]-6-chloro-1,3-benzothiazol-2-amine
CID 79524862
(1S)-1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethyl]ethanamine
CID 81353910
N-[1-(3-bromo-4-fluorophenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 107648355
3-N-[1-(4-bromophenyl)ethyl]pyrazine-2,3-diamine
CID 113228949
N-[1-(4-bromophenyl)ethyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 167862956
N-[1-(4-chlorophenyl)ethyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260466
N-[1-(4-chlorophenyl)ethyl]-5-phenyl-1,3,4-thiadiazol-2-amine
CID 112812660

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(4-bromophenyl)ethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-bromo-N-[1-(4-bromophenyl)ethyl]-1,3,4-thiadiazol-2-amine (CID 64625308) is 5-bromo-N-[1-(4-bromophenyl)ethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-bromo-N-[1-(4-bromophenyl)ethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-bromo-N-[1-(4-bromophenyl)ethyl]-1,3,4-thiadiazol-2-amine is CC(Nc1nnc(Br)s1)c1ccc(Br)cc1.
What is the InChIKey of 5-bromo-N-[1-(4-bromophenyl)ethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is RKPIWQCQQSRHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2N3S/c1-6(7-2-4-8(11)5-3-7)13-10-15-14-9(12)16-10/h2-6H,1H3,(H,13,15).
What are the key properties of 5-bromo-N-[1-(4-bromophenyl)ethyl]-1,3,4-thiadiazol-2-amine?
5-bromo-N-[1-(4-bromophenyl)ethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 363.08 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(4-bromophenyl)ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64625308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).