5-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine

C12H14ClN3O2S3 — CID 18130788

IUPAC5-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(SCCS(=O)(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C12H14ClN3O2S3/c1-2-14-11-15-16-12(20-11)19-7-8-21(17,18)10-5-3-9(13)4-6-10/h3-6H,2,7-8H2,1H3,(H,14,15)
InChIKeyFFQKHJGRMSGXTI-UHFFFAOYSA-N
MW363.92 g/mol
LogP3.19
Rot. Bonds7

About 5-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine

5-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine (PubChem CID 18130788) has the molecular formula C12H14ClN3O2S3 and a molecular weight of 363.92 g/mol. Its IUPAC name is 5-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine
PubChem CID18130788
Molecular FormulaC12H14ClN3O2S3
Molecular Weight363.92 g/mol
Exact Mass362.99
IUPAC Name5-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(SCCS(=O)(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C12H14ClN3O2S3/c1-2-14-11-15-16-12(20-11)19-7-8-21(17,18)10-5-3-9(13)4-6-10/h3-6H,2,7-8H2,1H3,(H,14,15)
InChIKeyFFQKHJGRMSGXTI-UHFFFAOYSA-N
XLogP3.19
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.92
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole
CID 2821450
5-[2-(benzenesulfonyl)ethylsulfanyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 37161996
5-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-N-(3-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 37135632
5-[3-(4-chlorophenoxy)propylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 24501218
5-[2-(benzenesulfonyl)ethylsulfanyl]-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine
CID 55479428
1-(4-chlorophenyl)-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol
CID 47148653
5-[2-(2,5-dichlorophenyl)sulfonylethylsulfanyl]-N-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 37175114
N-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]acetamide
CID 9379614
5-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 33080782
1-[2-(4-chlorophenyl)sulfanylethylsulfonyl]-4-methylbenzene
CID 2818837
3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanenitrile
CID 9379522
4-[2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]acetyl]-N,N-diethylbenzenesulfonamide
CID 110827897

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine (CID 18130788) is 5-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine is CCNc1nnc(SCCS(=O)(=O)c2ccc(Cl)cc2)s1.
What is the InChIKey of 5-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is FFQKHJGRMSGXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2S3/c1-2-14-11-15-16-12(20-11)19-7-8-21(17,18)10-5-3-9(13)4-6-10/h3-6H,2,7-8H2,1H3,(H,14,15).
What are the key properties of 5-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine?
5-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 363.92 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 18130788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).