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

C10H10BrN3S — CID 170305847

IUPAC5-[1-(4-bromophenyl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCC(c1ccc(Br)cc1)c1nnc(N)s1
InChIInChI=1S/C10H10BrN3S/c1-6(9-13-14-10(12)15-9)7-2-4-8(11)5-3-7/h2-6H,1H3,(H2,12,14)
InChIKeySFSMNYQHIHYXDB-UHFFFAOYSA-N
MW284.18 g/mol
LogP3.03
Rot. Bonds2

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

5-[1-(4-bromophenyl)ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 170305847) has the molecular formula C10H10BrN3S and a molecular weight of 284.18 g/mol. Its IUPAC name is 5-[1-(4-bromophenyl)ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[1-(4-bromophenyl)ethyl]-1,3,4-thiadiazol-2-amine
PubChem CID170305847
Molecular FormulaC10H10BrN3S
Molecular Weight284.18 g/mol
Exact Mass282.98
IUPAC Name5-[1-(4-bromophenyl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCC(c1ccc(Br)cc1)c1nnc(N)s1
InChIInChI=1S/C10H10BrN3S/c1-6(9-13-14-10(12)15-9)7-2-4-8(11)5-3-7/h2-6H,1H3,(H2,12,14)
InChIKeySFSMNYQHIHYXDB-UHFFFAOYSA-N
XLogP3.03
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.18
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-amino-1,3,4-thiadiazol-2-yl)ethanethiol
CID 129014452
5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-amine
CID 744071
5-(3,3-dimethylbutan-2-yl)-1,3,4-thiadiazol-2-amine
CID 130806498
2-(4-bromophenyl)-5-propan-2-yl-1,3,4-thiadiazole
CID 82489508
5-(1-phenylpropan-2-yl)-1,3,4-thiadiazol-2-amine
CID 91425019
5-[(4-bromophenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 673921
3-[1-(4-bromophenyl)ethyl]aniline
CID 155293877
5-bromo-N-[1-(4-bromophenyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 64625308
(1S)-1-(4-bromophenyl)ethanamine;hydrochloride
CID 53484870
5-pentan-2-yl-1,3,4-thiadiazol-2-amine
CID 4777940
(2S)-2-(4-bromophenyl)propan-1-amine
CID 23566380
O-[1-(4-bromophenyl)ethyl]hydroxylamine
CID 82024183

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-bromophenyl)ethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[1-(4-bromophenyl)ethyl]-1,3,4-thiadiazol-2-amine (CID 170305847) is 5-[1-(4-bromophenyl)ethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[1-(4-bromophenyl)ethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[1-(4-bromophenyl)ethyl]-1,3,4-thiadiazol-2-amine is CC(c1ccc(Br)cc1)c1nnc(N)s1.
What is the InChIKey of 5-[1-(4-bromophenyl)ethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is SFSMNYQHIHYXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3S/c1-6(9-13-14-10(12)15-9)7-2-4-8(11)5-3-7/h2-6H,1H3,(H2,12,14).
What are the key properties of 5-[1-(4-bromophenyl)ethyl]-1,3,4-thiadiazol-2-amine?
5-[1-(4-bromophenyl)ethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 284.18 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-bromophenyl)ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 170305847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).