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

C17H14BrN3O2S2 — CID 18554693

IUPACN-(4-bromophenyl)-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
SMILESCOc1ccc(-c2nsc(SCC(=O)Nc3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C17H14BrN3O2S2/c1-23-14-8-2-11(3-9-14)16-20-17(25-21-16)24-10-15(22)19-13-6-4-12(18)5-7-13/h2-9H,10H2,1H3,(H,19,22)
InChIKeyLGTNWSAUEPBGOP-UHFFFAOYSA-N
MW436.36 g/mol
LogP4.71
Rot. Bonds6

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

N-(4-bromophenyl)-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide (PubChem CID 18554693) has the molecular formula C17H14BrN3O2S2 and a molecular weight of 436.36 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
PubChem CID18554693
Molecular FormulaC17H14BrN3O2S2
Molecular Weight436.36 g/mol
Exact Mass434.97
IUPAC NameN-(4-bromophenyl)-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
SMILESCOc1ccc(-c2nsc(SCC(=O)Nc3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C17H14BrN3O2S2/c1-23-14-8-2-11(3-9-14)16-20-17(25-21-16)24-10-15(22)19-13-6-4-12(18)5-7-13/h2-9H,10H2,1H3,(H,19,22)
InChIKeyLGTNWSAUEPBGOP-UHFFFAOYSA-N
XLogP4.71
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.36
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-{[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide
CID 4521598
2-((3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl)thio)-N-(4-methoxyphenyl)acetamide
CID 4521599
2-((3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide
CID 18554694
2-((3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl)thio)-N-phenylacetamide
CID 3296613
N-(2-bromo-4,6-difluorophenyl)-2-{[5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 1291180
N-(4-bromophenyl)-2-{[5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 1319849
2-[[3-(4-Methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 3296609
N-(2-bromo-4,6-difluorophenyl)-2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio}acetamide
CID 2215117
N-(3-fluorophenyl)-2-((3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl)thio)acetamide
CID 3701243
N-(4-fluorophenyl)-2-((3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl)thio)acetamide
CID 7119433
N-(4-acetylphenyl)-2-((3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl)thio)acetamide
CID 5066970
2-{[4-amino-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
CID 979276

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide (CID 18554693) is N-(4-bromophenyl)-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide is COc1ccc(-c2nsc(SCC(=O)Nc3ccc(Br)cc3)n2)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
The InChIKey is LGTNWSAUEPBGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O2S2/c1-23-14-8-2-11(3-9-14)16-20-17(25-21-16)24-10-15(22)19-13-6-4-12(18)5-7-13/h2-9H,10H2,1H3,(H,19,22).
What are the key properties of N-(4-bromophenyl)-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
N-(4-bromophenyl)-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide has a molecular weight of 436.36 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide is sourced from PubChem (CID 18554693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).