2-methylsulfanyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazole

C6H10N2S3 — CID 20588041

IUPAC2-methylsulfanyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazole
SMILESCSc1nnc(SC(C)C)s1
InChIInChI=1S/C6H10N2S3/c1-4(2)10-6-8-7-5(9-3)11-6/h4H,1-3H3
InChIKeyOPRYWNCQSBWENG-UHFFFAOYSA-N
MW206.36 g/mol
LogP2.76
Rot. Bonds3

About 2-methylsulfanyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazole

2-methylsulfanyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazole (PubChem CID 20588041) has the molecular formula C6H10N2S3 and a molecular weight of 206.36 g/mol. Its IUPAC name is 2-methylsulfanyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methylsulfanyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazole
PubChem CID20588041
Molecular FormulaC6H10N2S3
Molecular Weight206.36 g/mol
Exact Mass206.00
IUPAC Name2-methylsulfanyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazole
SMILESCSc1nnc(SC(C)C)s1
InChIInChI=1S/C6H10N2S3/c1-4(2)10-6-8-7-5(9-3)11-6/h4H,1-3H3
InChIKeyOPRYWNCQSBWENG-UHFFFAOYSA-N
XLogP2.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.36
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-2-amine
CID 115384216
2-[1-(4-methylphenyl)ethylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole
CID 54320433
N-ethyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine
CID 115383697
2-butan-2-ylsulfanyl-5-[(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)disulfanyl]-1,3,4-thiadiazole
CID 148911625
3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylbutan-2-amine
CID 115384110
(2R)-N-carbamoyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 7820512
(2R)-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
CID 106933430
N-tert-butyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-amine
CID 131207186
5,5-dimethyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-3-amine
CID 113298607
3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]heptan-4-amine
CID 115384185
1-(furan-2-yl)-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine
CID 115382843
N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 6919150

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazole?
The IUPAC name of 2-methylsulfanyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazole (CID 20588041) is 2-methylsulfanyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-methylsulfanyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazole?
The canonical SMILES for 2-methylsulfanyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazole is CSc1nnc(SC(C)C)s1.
What is the InChIKey of 2-methylsulfanyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazole?
The InChIKey is OPRYWNCQSBWENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S3/c1-4(2)10-6-8-7-5(9-3)11-6/h4H,1-3H3.
What are the key properties of 2-methylsulfanyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazole?
2-methylsulfanyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazole has a molecular weight of 206.36 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazole is sourced from PubChem (CID 20588041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).