5-(2-pyridin-2-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine

C9H10N4S2 — CID 14880955

IUPAC5-(2-pyridin-2-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(SCCc2ccccn2)s1
InChIInChI=1S/C9H10N4S2/c10-8-12-13-9(15-8)14-6-4-7-3-1-2-5-11-7/h1-3,5H,4,6H2,(H2,10,12)
InChIKeyCRPVNTVRKYGDBE-UHFFFAOYSA-N
MW238.34 g/mol
LogP1.85
Rot. Bonds4

About 5-(2-pyridin-2-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine

5-(2-pyridin-2-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine (PubChem CID 14880955) has the molecular formula C9H10N4S2 and a molecular weight of 238.34 g/mol. Its IUPAC name is 5-(2-pyridin-2-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-pyridin-2-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine
PubChem CID14880955
Molecular FormulaC9H10N4S2
Molecular Weight238.34 g/mol
Exact Mass238.03
IUPAC Name5-(2-pyridin-2-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(SCCc2ccccn2)s1
InChIInChI=1S/C9H10N4S2/c10-8-12-13-9(15-8)14-6-4-7-3-1-2-5-11-7/h1-3,5H,4,6H2,(H2,10,12)
InChIKeyCRPVNTVRKYGDBE-UHFFFAOYSA-N
XLogP1.85
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-pyridin-2-ylbutyl)acetamide
CID 46986866
2-(2-pyridin-2-ylethylsulfanyl)aniline
CID 12029846
N-cyclohexyl-5-(2-pyridin-2-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 17455895
5-(3-phenylpropylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 6494481
5-[2-(4-methylphenyl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 83478435
5-[2-(1-methylimidazol-2-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 114528160
5-(3-chloropropylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 13142198
2-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-thiadiazole
CID 4069691
5-(3-naphthalen-1-yloxypropylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 71889321
2-[2-(2-chlorophenyl)sulfanylethyl]pyridine
CID 78815813
5-[2-(2,6-dichlorophenoxy)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 30043620
2-[4-methyl-2-(2-pyridin-2-ylethylsulfanyl)-1,3-thiazol-5-yl]acetic acid
CID 60890315

Frequently Asked Questions

What is the IUPAC name of 5-(2-pyridin-2-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-pyridin-2-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine (CID 14880955) is 5-(2-pyridin-2-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-pyridin-2-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-pyridin-2-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine is Nc1nnc(SCCc2ccccn2)s1.
What is the InChIKey of 5-(2-pyridin-2-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is CRPVNTVRKYGDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4S2/c10-8-12-13-9(15-8)14-6-4-7-3-1-2-5-11-7/h1-3,5H,4,6H2,(H2,10,12).
What are the key properties of 5-(2-pyridin-2-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine?
5-(2-pyridin-2-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 238.34 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-pyridin-2-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 14880955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).