1-[5-bromo-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]-N-ethylethanamine

C14H18BrN3S2 — CID 82970086

IUPAC1-[5-bromo-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]-N-ethylethanamine
SMILESCCNC(C)c1cc(Br)ccc1Sc1nc(CC)ns1
InChIInChI=1S/C14H18BrN3S2/c1-4-13-17-14(20-18-13)19-12-7-6-10(15)8-11(12)9(3)16-5-2/h6-9,16H,4-5H2,1-3H3
InChIKeyYFRDHXYCQAPYLU-UHFFFAOYSA-N
MW372.36 g/mol
LogP4.68
Rot. Bonds6

About 1-[5-bromo-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]-N-ethylethanamine

1-[5-bromo-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]-N-ethylethanamine (PubChem CID 82970086) has the molecular formula C14H18BrN3S2 and a molecular weight of 372.36 g/mol. Its IUPAC name is 1-[5-bromo-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]-N-ethylethanamine
PubChem CID82970086
Molecular FormulaC14H18BrN3S2
Molecular Weight372.36 g/mol
Exact Mass371.01
IUPAC Name1-[5-bromo-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]-N-ethylethanamine
SMILESCCNC(C)c1cc(Br)ccc1Sc1nc(CC)ns1
InChIInChI=1S/C14H18BrN3S2/c1-4-13-17-14(20-18-13)19-12-7-6-10(15)8-11(12)9(3)16-5-2/h6-9,16H,4-5H2,1-3H3
InChIKeyYFRDHXYCQAPYLU-UHFFFAOYSA-N
XLogP4.68
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.36
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-bromo-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]-N-ethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-bromo-2-(1,3-thiazol-2-ylsulfanyl)phenyl]-N-ethylethanamine
CID 82969989
1-[5-bromo-2-(3,4-difluorophenyl)sulfanylphenyl]-N-ethylethanamine
CID 82954533
1-[5-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]-N-ethylethanamine
CID 82969471
5-bromo-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N'-hydroxybenzenecarboximidamide
CID 114893582
N-[1-[5-bromo-2-(3-bromophenyl)sulfanylphenyl]ethyl]propan-1-amine
CID 82956925
1-[4-bromo-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-N-ethylethanamine
CID 82976134
1-(4-bromo-2-pyridin-4-ylsulfanylphenyl)-N-ethylethanamine
CID 82969170
5-[(3-bromo-4-pyridinyl)sulfanyl]-3-ethyl-1,2,4-thiadiazole
CID 104779107
1-(4-bromo-2-propan-2-ylsulfanylphenyl)-N-ethylethanamine
CID 82969763
2-[4-bromo-2-[1-(methylamino)ethyl]phenyl]sulfanylpyrimidine-4,6-diamine
CID 82969467
5-[4-bromo-2-[1-(methylamino)ethyl]phenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 82969162
N-[1-[5-bromo-2-(3-methylbutan-2-ylsulfanyl)phenyl]ethyl]propan-1-amine
CID 107750763

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]-N-ethylethanamine?
The IUPAC name of 1-[5-bromo-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]-N-ethylethanamine (CID 82970086) is 1-[5-bromo-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[5-bromo-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[5-bromo-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]-N-ethylethanamine is CCNC(C)c1cc(Br)ccc1Sc1nc(CC)ns1.
What is the InChIKey of 1-[5-bromo-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]-N-ethylethanamine?
The InChIKey is YFRDHXYCQAPYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3S2/c1-4-13-17-14(20-18-13)19-12-7-6-10(15)8-11(12)9(3)16-5-2/h6-9,16H,4-5H2,1-3H3.
What are the key properties of 1-[5-bromo-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]-N-ethylethanamine?
1-[5-bromo-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]-N-ethylethanamine has a molecular weight of 372.36 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]-N-ethylethanamine is sourced from PubChem (CID 82970086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).