1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]pyrazol-3-amine

C8H11N5S2 — CID 63315822

IUPAC1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]pyrazol-3-amine
SMILESCc1nnc(SCCn2ccc(N)n2)s1
InChIInChI=1S/C8H11N5S2/c1-6-10-11-8(15-6)14-5-4-13-3-2-7(9)12-13/h2-3H,4-5H2,1H3,(H2,9,12)
InChIKeyHVWCSEJQPOTOLA-UHFFFAOYSA-N
MW241.34 g/mol
LogP1.42
Rot. Bonds4

About 1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]pyrazol-3-amine

1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]pyrazol-3-amine (PubChem CID 63315822) has the molecular formula C8H11N5S2 and a molecular weight of 241.34 g/mol. Its IUPAC name is 1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]pyrazol-3-amine
PubChem CID63315822
Molecular FormulaC8H11N5S2
Molecular Weight241.34 g/mol
Exact Mass241.05
IUPAC Name1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]pyrazol-3-amine
SMILESCc1nnc(SCCn2ccc(N)n2)s1
InChIInChI=1S/C8H11N5S2/c1-6-10-11-8(15-6)14-5-4-13-3-2-7(9)12-13/h2-3H,4-5H2,1H3,(H2,9,12)
InChIKeyHVWCSEJQPOTOLA-UHFFFAOYSA-N
XLogP1.42
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[2-(3-aminopyrazol-1-yl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63736775
1-[3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]pyrazol-3-amine
CID 113298612
1-[2-(4-fluorophenyl)sulfanylethyl]pyrazol-3-amine
CID 63315951
1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]triazole-4-carboxylic acid
CID 60877306
1-(2-pyridin-2-ylsulfanylethyl)pyrazol-3-amine
CID 63316039
2-[2-(3-aminopyrazol-1-yl)ethylsulfanyl]ethanol
CID 63316468
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethanamine
CID 63772082
1-(3-thiophen-2-ylsulfanylpropyl)pyrazol-3-amine
CID 63311120
1-(4-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
CID 107524859
ethyl 2-[3-(3-aminopyrazol-1-yl)propylsulfanyl]acetate
CID 63311296
N-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
CID 61386393
N-(2-aminophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 60875606

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]pyrazol-3-amine?
The IUPAC name of 1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]pyrazol-3-amine (CID 63315822) is 1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]pyrazol-3-amine.
What is the SMILES notation for 1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]pyrazol-3-amine?
The canonical SMILES for 1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]pyrazol-3-amine is Cc1nnc(SCCn2ccc(N)n2)s1.
What is the InChIKey of 1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]pyrazol-3-amine?
The InChIKey is HVWCSEJQPOTOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S2/c1-6-10-11-8(15-6)14-5-4-13-3-2-7(9)12-13/h2-3H,4-5H2,1H3,(H2,9,12).
What are the key properties of 1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]pyrazol-3-amine?
1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]pyrazol-3-amine has a molecular weight of 241.34 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]pyrazol-3-amine is sourced from PubChem (CID 63315822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).