1-(ethylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile

C11H16N4S3 — CID 115383406

IUPAC1-(ethylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCC(Sc2nnc(SC)s2)C1
InChIInChI=1S/C11H16N4S3/c1-3-13-11(7-12)5-4-8(6-11)17-10-15-14-9(16-2)18-10/h8,13H,3-6H2,1-2H3
InChIKeyOMXWPAYPYDKFAH-UHFFFAOYSA-N
MW300.48 g/mol
LogP2.78
Rot. Bonds5

About 1-(ethylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile

1-(ethylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile (PubChem CID 115383406) has the molecular formula C11H16N4S3 and a molecular weight of 300.48 g/mol. Its IUPAC name is 1-(ethylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(ethylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile
PubChem CID115383406
Molecular FormulaC11H16N4S3
Molecular Weight300.48 g/mol
Exact Mass300.05
IUPAC Name1-(ethylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCC(Sc2nnc(SC)s2)C1
InChIInChI=1S/C11H16N4S3/c1-3-13-11(7-12)5-4-8(6-11)17-10-15-14-9(16-2)18-10/h8,13H,3-6H2,1-2H3
InChIKeyOMXWPAYPYDKFAH-UHFFFAOYSA-N
XLogP2.78
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.48
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(ethylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile 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

1-(ethylamino)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile
CID 79649514
1-(ethylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxylic acid
CID 115383458
[3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclopentyl]methanol
CID 115384282
1-(ethylamino)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile
CID 79636719
[3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclohexyl]methanol
CID 115384268
1-(ethylamino)-3-(2-methylfuran-3-yl)sulfanylcyclopentane-1-carbonitrile
CID 114000924
1-(ethylamino)-3-(3-methylbutan-2-ylsulfanyl)cyclopentane-1-carbonitrile
CID 107754976
1-(ethylamino)-3-quinazolin-4-ylsulfanylcyclopentane-1-carbonitrile
CID 79644882
2-cyclopentylsulfanyl-5-methylsulfanyl-1,3,4-thiadiazole
CID 131208793
3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(propylamino)cyclopentane-1-carbonitrile
CID 79649908
methyl 1-amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carboxylate
CID 115383534
1-(ethylamino)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile
CID 79644889

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-(ethylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile (CID 115383406) is 1-(ethylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(ethylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(ethylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile is CCNC1(C#N)CCC(Sc2nnc(SC)s2)C1.
What is the InChIKey of 1-(ethylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile?
The InChIKey is OMXWPAYPYDKFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S3/c1-3-13-11(7-12)5-4-8(6-11)17-10-15-14-9(16-2)18-10/h8,13H,3-6H2,1-2H3.
What are the key properties of 1-(ethylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile?
1-(ethylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile has a molecular weight of 300.48 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 115383406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).