N-(3-bromophenyl)-5-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine

C15H16BrN5OS2 — CID 24631426

IUPACN-(3-bromophenyl)-5-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCC(C)Cc1noc(CSc2nnc(Nc3cccc(Br)c3)s2)n1
InChIInChI=1S/C15H16BrN5OS2/c1-9(2)6-12-18-13(22-21-12)8-23-15-20-19-14(24-15)17-11-5-3-4-10(16)7-11/h3-5,7,9H,6,8H2,1-2H3,(H,17,19)
InChIKeyDTUOHBXPYMTTLK-UHFFFAOYSA-N
MW426.37 g/mol
LogP4.92
Rot. Bonds7

About N-(3-bromophenyl)-5-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine

N-(3-bromophenyl)-5-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 24631426) has the molecular formula C15H16BrN5OS2 and a molecular weight of 426.37 g/mol. Its IUPAC name is N-(3-bromophenyl)-5-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-5-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID24631426
Molecular FormulaC15H16BrN5OS2
Molecular Weight426.37 g/mol
Exact Mass425.00
IUPAC NameN-(3-bromophenyl)-5-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCC(C)Cc1noc(CSc2nnc(Nc3cccc(Br)c3)s2)n1
InChIInChI=1S/C15H16BrN5OS2/c1-9(2)6-12-18-13(22-21-12)8-23-15-20-19-14(24-15)17-11-5-3-4-10(16)7-11/h3-5,7,9H,6,8H2,1-2H3,(H,17,19)
InChIKeyDTUOHBXPYMTTLK-UHFFFAOYSA-N
XLogP4.92
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.37
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(3-bromophenyl)-5-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine 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

N-[3-[[5-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]phenyl]acetamide
CID 46575699
N-(3-bromophenyl)-5-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 134052425
5-[[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(3-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 60541063
N-(3-bromophenyl)-5-(pyridin-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 35194362
N-(3-chloro-2-methylphenyl)-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 24649734
5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-phenyl-1,3,4-thiadiazol-2-amine
CID 34801710
2-[[5-(3-bromoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanenitrile
CID 17404724
ethyl 2-[[5-(3-bromoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate
CID 60600433
5-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-phenyl-1,3,4-thiadiazol-2-amine
CID 7999718
5-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-phenyl-1,3,4-thiadiazol-2-amine
CID 42021243
N-(3-methoxyphenyl)-5-[[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 55733096
2-[[5-(3-bromoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-N-phenylacetamide
CID 27189567

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-5-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(3-bromophenyl)-5-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 24631426) is N-(3-bromophenyl)-5-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(3-bromophenyl)-5-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(3-bromophenyl)-5-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine is CC(C)Cc1noc(CSc2nnc(Nc3cccc(Br)c3)s2)n1.
What is the InChIKey of N-(3-bromophenyl)-5-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is DTUOHBXPYMTTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN5OS2/c1-9(2)6-12-18-13(22-21-12)8-23-15-20-19-14(24-15)17-11-5-3-4-10(16)7-11/h3-5,7,9H,6,8H2,1-2H3,(H,17,19).
What are the key properties of N-(3-bromophenyl)-5-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?
N-(3-bromophenyl)-5-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 426.37 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-5-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 24631426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).