[5-bromo-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine

C10H10BrN3S2 — CID 114893834

IUPAC[5-bromo-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine
SMILESCc1nnc(Sc2ccc(Br)cc2CN)s1
InChIInChI=1S/C10H10BrN3S2/c1-6-13-14-10(15-6)16-9-3-2-8(11)4-7(9)5-12/h2-4H,5,12H2,1H3
InChIKeyGQCDEQPODITBHH-UHFFFAOYSA-N
MW316.25 g/mol
LogP3.22
Rot. Bonds3

About [5-bromo-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine

[5-bromo-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine (PubChem CID 114893834) has the molecular formula C10H10BrN3S2 and a molecular weight of 316.25 g/mol. Its IUPAC name is [5-bromo-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine.

Molecular Properties

Compound Name[5-bromo-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine
PubChem CID114893834
Molecular FormulaC10H10BrN3S2
Molecular Weight316.25 g/mol
Exact Mass314.95
IUPAC Name[5-bromo-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine
SMILESCc1nnc(Sc2ccc(Br)cc2CN)s1
InChIInChI=1S/C10H10BrN3S2/c1-6-13-14-10(15-6)16-9-3-2-8(11)4-7(9)5-12/h2-4H,5,12H2,1H3
InChIKeyGQCDEQPODITBHH-UHFFFAOYSA-N
XLogP3.22
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.25
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline
CID 65342054
2-[5-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanamine
CID 114057623
N-methyl-1-[5-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine
CID 114055412
2-[3-fluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanamine
CID 63818475
[5-chloro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanol
CID 114865538
2-[3-chloro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanamine
CID 81159748
5-iodo-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline
CID 66082760
[5-bromo-2-(3,4-dichlorophenyl)sulfanylphenyl]methanamine
CID 114893865
5-[2-(aminomethyl)-4-fluorophenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63738353
(1R)-1-[3-bromo-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanol
CID 78951532
N-[[5-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methyl]ethanamine
CID 63807872
N-[[5-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methyl]-2-methylpropan-1-amine
CID 63808217

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine?
The IUPAC name of [5-bromo-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine (CID 114893834) is [5-bromo-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine.
What is the SMILES notation for [5-bromo-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine?
The canonical SMILES for [5-bromo-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine is Cc1nnc(Sc2ccc(Br)cc2CN)s1.
What is the InChIKey of [5-bromo-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine?
The InChIKey is GQCDEQPODITBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3S2/c1-6-13-14-10(15-6)16-9-3-2-8(11)4-7(9)5-12/h2-4H,5,12H2,1H3.
What are the key properties of [5-bromo-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine?
[5-bromo-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine has a molecular weight of 316.25 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine is sourced from PubChem (CID 114893834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).