2-cyclopentylsulfanyl-5-methylsulfanyl-1,3,4-thiadiazole

C8H12N2S3 — CID 131208793

IUPAC2-cyclopentylsulfanyl-5-methylsulfanyl-1,3,4-thiadiazole
SMILESCSc1nnc(SC2CCCC2)s1
InChIInChI=1S/C8H12N2S3/c1-11-7-9-10-8(13-7)12-6-4-2-3-5-6/h6H,2-5H2,1H3
InChIKeyPMPAKPDKKFWPSE-UHFFFAOYSA-N
MW232.40 g/mol
LogP3.29
Rot. Bonds3

About 2-cyclopentylsulfanyl-5-methylsulfanyl-1,3,4-thiadiazole

2-cyclopentylsulfanyl-5-methylsulfanyl-1,3,4-thiadiazole (PubChem CID 131208793) has the molecular formula C8H12N2S3 and a molecular weight of 232.40 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-5-methylsulfanyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-5-methylsulfanyl-1,3,4-thiadiazole
PubChem CID131208793
Molecular FormulaC8H12N2S3
Molecular Weight232.40 g/mol
Exact Mass232.02
IUPAC Name2-cyclopentylsulfanyl-5-methylsulfanyl-1,3,4-thiadiazole
SMILESCSc1nnc(SC2CCCC2)s1
InChIInChI=1S/C8H12N2S3/c1-11-7-9-10-8(13-7)12-6-4-2-3-5-6/h6H,2-5H2,1H3
InChIKeyPMPAKPDKKFWPSE-UHFFFAOYSA-N
XLogP3.29
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.40
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentan-1-one
CID 115279632
1-amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxamide
CID 113298762
1-(methylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxamide
CID 115383582
2-cyclopropylsulfanyl-5-methyl-1,3,4-thiadiazole
CID 127014892
[3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclohexyl]methanol
CID 115384268
1-(ethylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxylic acid
CID 115383458
2-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentan-1-amine
CID 115384136
methyl 1-amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carboxylate
CID 115383534
2-[(5-cyclopentylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylacetamide
CID 60617672
1-(ethylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile
CID 115383406
1-(cyclopropylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carboxylic acid
CID 115383599
1-tert-butyl-3-(5-cyclopentylsulfanyl-1,3,4-thiadiazol-2-yl)urea
CID 7587215

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-5-methylsulfanyl-1,3,4-thiadiazole?
The IUPAC name of 2-cyclopentylsulfanyl-5-methylsulfanyl-1,3,4-thiadiazole (CID 131208793) is 2-cyclopentylsulfanyl-5-methylsulfanyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-cyclopentylsulfanyl-5-methylsulfanyl-1,3,4-thiadiazole?
The canonical SMILES for 2-cyclopentylsulfanyl-5-methylsulfanyl-1,3,4-thiadiazole is CSc1nnc(SC2CCCC2)s1.
What is the InChIKey of 2-cyclopentylsulfanyl-5-methylsulfanyl-1,3,4-thiadiazole?
The InChIKey is PMPAKPDKKFWPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S3/c1-11-7-9-10-8(13-7)12-6-4-2-3-5-6/h6H,2-5H2,1H3.
What are the key properties of 2-cyclopentylsulfanyl-5-methylsulfanyl-1,3,4-thiadiazole?
2-cyclopentylsulfanyl-5-methylsulfanyl-1,3,4-thiadiazole has a molecular weight of 232.40 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-5-methylsulfanyl-1,3,4-thiadiazole is sourced from PubChem (CID 131208793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).