2-[[5-[2-[4-(4-bromophenyl)phenyl]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

C18H14BrN3O2S3 — CID 30399584

IUPAC2-[[5-[2-[4-(4-bromophenyl)phenyl]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESNC(=O)CSc1nnc(SCC(=O)c2ccc(-c3ccc(Br)cc3)cc2)s1
InChIInChI=1S/C18H14BrN3O2S3/c19-14-7-5-12(6-8-14)11-1-3-13(4-2-11)15(23)9-25-17-21-22-18(27-17)26-10-16(20)24/h1-8H,9-10H2,(H2,20,24)
InChIKeyYWNISVKKEJHNDE-UHFFFAOYSA-N
MW480.43 g/mol
LogP4.52
Rot. Bonds8

About 2-[[5-[2-[4-(4-bromophenyl)phenyl]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

2-[[5-[2-[4-(4-bromophenyl)phenyl]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 30399584) has the molecular formula C18H14BrN3O2S3 and a molecular weight of 480.43 g/mol. Its IUPAC name is 2-[[5-[2-[4-(4-bromophenyl)phenyl]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[5-[2-[4-(4-bromophenyl)phenyl]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
PubChem CID30399584
Molecular FormulaC18H14BrN3O2S3
Molecular Weight480.43 g/mol
Exact Mass478.94
IUPAC Name2-[[5-[2-[4-(4-bromophenyl)phenyl]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESNC(=O)CSc1nnc(SCC(=O)c2ccc(-c3ccc(Br)cc3)cc2)s1
InChIInChI=1S/C18H14BrN3O2S3/c19-14-7-5-12(6-8-14)11-1-3-13(4-2-11)15(23)9-25-17-21-22-18(27-17)26-10-16(20)24/h1-8H,9-10H2,(H2,20,24)
InChIKeyYWNISVKKEJHNDE-UHFFFAOYSA-N
XLogP4.52
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.43
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[5-[2-[4-(4-bromophenyl)phenyl]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide 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

2-[2-[2-[4-(4-bromophenyl)phenyl]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide
CID 24589876
1-(4-bromophenyl)-2-(thiatriazol-5-ylsulfanyl)ethanone
CID 4187899
2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 4617531
3-[(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 2957429
2-bromo-N-[5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
CID 42805848
2-[[4-amino-5-(4-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)ethanone
CID 118047591
1-[4-(4-bromophenyl)phenyl]-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 18203578
2-[[5-[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7883543
cis-(1S,2R)-N-[5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-phenylcyclopropane-1-carboxamide
CID 93126138
2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 58800883
2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethanone
CID 84602735
2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]-1-phenylethanone
CID 3406773

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[2-[4-(4-bromophenyl)phenyl]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of 2-[[5-[2-[4-(4-bromophenyl)phenyl]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 30399584) is 2-[[5-[2-[4-(4-bromophenyl)phenyl]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[5-[2-[4-(4-bromophenyl)phenyl]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for 2-[[5-[2-[4-(4-bromophenyl)phenyl]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is NC(=O)CSc1nnc(SCC(=O)c2ccc(-c3ccc(Br)cc3)cc2)s1.
What is the InChIKey of 2-[[5-[2-[4-(4-bromophenyl)phenyl]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is YWNISVKKEJHNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN3O2S3/c19-14-7-5-12(6-8-14)11-1-3-13(4-2-11)15(23)9-25-17-21-22-18(27-17)26-10-16(20)24/h1-8H,9-10H2,(H2,20,24).
What are the key properties of 2-[[5-[2-[4-(4-bromophenyl)phenyl]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
2-[[5-[2-[4-(4-bromophenyl)phenyl]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 480.43 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[2-[4-(4-bromophenyl)phenyl]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 30399584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).