5-[2-(benzenesulfonyl)ethylsulfanyl]-N-propyl-1,3,4-thiadiazol-2-amine

C13H17N3O2S3 — CID 37161996

IUPAC5-[2-(benzenesulfonyl)ethylsulfanyl]-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(SCCS(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C13H17N3O2S3/c1-2-8-14-12-15-16-13(20-12)19-9-10-21(17,18)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,14,15)
InChIKeyHGCHJUDYMYNQKK-UHFFFAOYSA-N
MW343.50 g/mol
LogP2.93
Rot. Bonds8

About 5-[2-(benzenesulfonyl)ethylsulfanyl]-N-propyl-1,3,4-thiadiazol-2-amine

5-[2-(benzenesulfonyl)ethylsulfanyl]-N-propyl-1,3,4-thiadiazol-2-amine (PubChem CID 37161996) has the molecular formula C13H17N3O2S3 and a molecular weight of 343.50 g/mol. Its IUPAC name is 5-[2-(benzenesulfonyl)ethylsulfanyl]-N-propyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-(benzenesulfonyl)ethylsulfanyl]-N-propyl-1,3,4-thiadiazol-2-amine
PubChem CID37161996
Molecular FormulaC13H17N3O2S3
Molecular Weight343.50 g/mol
Exact Mass343.05
IUPAC Name5-[2-(benzenesulfonyl)ethylsulfanyl]-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(SCCS(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C13H17N3O2S3/c1-2-8-14-12-15-16-13(20-12)19-9-10-21(17,18)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,14,15)
InChIKeyHGCHJUDYMYNQKK-UHFFFAOYSA-N
XLogP2.93
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[2-(benzenesulfonyl)ethylsulfanyl]-N-propyl-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

5-[2-(benzenesulfonyl)ethylsulfanyl]-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine
CID 55479428
5-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 18130788
2-[2-(benzenesulfonyl)ethylsulfanyl]-5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,3,4-thiadiazole
CID 37145941
5-(2-methylsulfonylethylsulfanyl)-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
CID 47130653
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]ethanesulfonamide
CID 167939499
N-propyl-5-(pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 119047027
5-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-N-(3-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 37135632
N,N-diethyl-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 47115255
2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole
CID 2821450
3-[[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoic acid
CID 25499126
(2S)-N-phenyl-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 8911091
2-(benzenesulfonyl)ethylsulfanylbenzene
CID 737205

Frequently Asked Questions

What is the IUPAC name of 5-[2-(benzenesulfonyl)ethylsulfanyl]-N-propyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-(benzenesulfonyl)ethylsulfanyl]-N-propyl-1,3,4-thiadiazol-2-amine (CID 37161996) is 5-[2-(benzenesulfonyl)ethylsulfanyl]-N-propyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-(benzenesulfonyl)ethylsulfanyl]-N-propyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-(benzenesulfonyl)ethylsulfanyl]-N-propyl-1,3,4-thiadiazol-2-amine is CCCNc1nnc(SCCS(=O)(=O)c2ccccc2)s1.
What is the InChIKey of 5-[2-(benzenesulfonyl)ethylsulfanyl]-N-propyl-1,3,4-thiadiazol-2-amine?
The InChIKey is HGCHJUDYMYNQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S3/c1-2-8-14-12-15-16-13(20-12)19-9-10-21(17,18)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,14,15).
What are the key properties of 5-[2-(benzenesulfonyl)ethylsulfanyl]-N-propyl-1,3,4-thiadiazol-2-amine?
5-[2-(benzenesulfonyl)ethylsulfanyl]-N-propyl-1,3,4-thiadiazol-2-amine has a molecular weight of 343.50 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(benzenesulfonyl)ethylsulfanyl]-N-propyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 37161996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).