2-ethylsulfanyl-5-propyl-1,3,4-thiadiazole

C7H12N2S2 — CID 59817036

IUPAC2-ethylsulfanyl-5-propyl-1,3,4-thiadiazole
SMILESCCCc1nnc(SCC)s1
InChIInChI=1S/C7H12N2S2/c1-3-5-6-8-9-7(11-6)10-4-2/h3-5H2,1-2H3
InChIKeyUKFKQWBGAQCXAZ-UHFFFAOYSA-N
MW188.32 g/mol
LogP2.60
Rot. Bonds4

About 2-ethylsulfanyl-5-propyl-1,3,4-thiadiazole

2-ethylsulfanyl-5-propyl-1,3,4-thiadiazole (PubChem CID 59817036) has the molecular formula C7H12N2S2 and a molecular weight of 188.32 g/mol. Its IUPAC name is 2-ethylsulfanyl-5-propyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-ethylsulfanyl-5-propyl-1,3,4-thiadiazole
PubChem CID59817036
Molecular FormulaC7H12N2S2
Molecular Weight188.32 g/mol
Exact Mass188.04
IUPAC Name2-ethylsulfanyl-5-propyl-1,3,4-thiadiazole
SMILESCCCc1nnc(SCC)s1
InChIInChI=1S/C7H12N2S2/c1-3-5-6-8-9-7(11-6)10-4-2/h3-5H2,1-2H3
InChIKeyUKFKQWBGAQCXAZ-UHFFFAOYSA-N
XLogP2.60
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.32
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine
CID 6453071
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 2237000
1-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3,3-dimethylbutan-2-one
CID 39905896
2-ethylsulfanyl-5-(2-methylprop-2-enylsulfanyl)-1,3,4-thiadiazole
CID 47094995
2-(chloromethylsulfanyl)-5-ethyl-1,3,4-thiadiazole
CID 58430407
2-dodecyl-5-(trisulfanyl)-1,3,4-thiadiazole
CID 88603492
2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-5-propyl-1,3,4-thiadiazole
CID 18708917
chloroform;5-propyl-1,3,4-thiadiazol-2-amine
CID 174928082
2-ethylsulfanyl-5-[[4-(trifluoromethoxy)phenoxy]methyl]-1,3,4-thiadiazole
CID 141471130
N-(5-propyl-1,3,4-thiadiazol-2-yl)formamide
CID 21239238
2-ethylsulfanyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole
CID 84602773
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)octanamide
CID 3492892

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-5-propyl-1,3,4-thiadiazole?
The IUPAC name of 2-ethylsulfanyl-5-propyl-1,3,4-thiadiazole (CID 59817036) is 2-ethylsulfanyl-5-propyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-ethylsulfanyl-5-propyl-1,3,4-thiadiazole?
The canonical SMILES for 2-ethylsulfanyl-5-propyl-1,3,4-thiadiazole is CCCc1nnc(SCC)s1.
What is the InChIKey of 2-ethylsulfanyl-5-propyl-1,3,4-thiadiazole?
The InChIKey is UKFKQWBGAQCXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S2/c1-3-5-6-8-9-7(11-6)10-4-2/h3-5H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-5-propyl-1,3,4-thiadiazole?
2-ethylsulfanyl-5-propyl-1,3,4-thiadiazole has a molecular weight of 188.32 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-5-propyl-1,3,4-thiadiazole is sourced from PubChem (CID 59817036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).