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

C9H7Br2N3S — CID 64624499

IUPAC5-bromo-N-[(4-bromophenyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESBrc1ccc(CNc2nnc(Br)s2)cc1
InChIInChI=1S/C9H7Br2N3S/c10-7-3-1-6(2-4-7)5-12-9-14-13-8(11)15-9/h1-4H,5H2,(H,12,14)
InChIKeyPDZKBUVTUYJEDY-UHFFFAOYSA-N
MW349.05 g/mol
LogP3.68
Rot. Bonds3

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

5-bromo-N-[(4-bromophenyl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 64624499) has the molecular formula C9H7Br2N3S and a molecular weight of 349.05 g/mol. Its IUPAC name is 5-bromo-N-[(4-bromophenyl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(4-bromophenyl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID64624499
Molecular FormulaC9H7Br2N3S
Molecular Weight349.05 g/mol
Exact Mass346.87
IUPAC Name5-bromo-N-[(4-bromophenyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESBrc1ccc(CNc2nnc(Br)s2)cc1
InChIInChI=1S/C9H7Br2N3S/c10-7-3-1-6(2-4-7)5-12-9-14-13-8(11)15-9/h1-4H,5H2,(H,12,14)
InChIKeyPDZKBUVTUYJEDY-UHFFFAOYSA-N
XLogP3.68
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.05
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 64623499
5-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
CID 64622866
2-[[(5-bromo-1,3,4-thiadiazol-2-yl)amino]methyl]phenol
CID 103911742
5-bromo-N-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 64622633
5-bromo-N-[(2-chlorophenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 64624509
5-bromo-N-[(2-methylphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 64625511
5-bromo-N-(1,2-oxazol-3-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 79492914
N-[(4-bromophenyl)methyl]-5-chloro-1,3-benzothiazol-2-amine
CID 54937658
N-[(4-bromophenyl)methyl]-5-fluoro-1,3-benzothiazol-2-amine
CID 54937620
2-bromo-5-[(4-bromophenyl)methyl]-1,3,4-thiadiazole
CID 63383498
N-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 3055292
N-[(4-fluorophenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 64913971

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-bromophenyl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-bromo-N-[(4-bromophenyl)methyl]-1,3,4-thiadiazol-2-amine (CID 64624499) is 5-bromo-N-[(4-bromophenyl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-bromo-N-[(4-bromophenyl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-bromo-N-[(4-bromophenyl)methyl]-1,3,4-thiadiazol-2-amine is Brc1ccc(CNc2nnc(Br)s2)cc1.
What is the InChIKey of 5-bromo-N-[(4-bromophenyl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is PDZKBUVTUYJEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Br2N3S/c10-7-3-1-6(2-4-7)5-12-9-14-13-8(11)15-9/h1-4H,5H2,(H,12,14).
What are the key properties of 5-bromo-N-[(4-bromophenyl)methyl]-1,3,4-thiadiazol-2-amine?
5-bromo-N-[(4-bromophenyl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 349.05 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-bromophenyl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64624499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).