3-[1-(2-methoxyethyl)pyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine

C13H14N6OS — CID 25204252

IUPAC3-[1-(2-methoxyethyl)pyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine
SMILESCOCCn1cc(-c2nsc(Nc3ccccn3)n2)cn1
InChIInChI=1S/C13H14N6OS/c1-20-7-6-19-9-10(8-15-19)12-17-13(21-18-12)16-11-4-2-3-5-14-11/h2-5,8-9H,6-7H2,1H3,(H,14,16,17,18)
InChIKeySYESMXJYNXLZKB-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.19
Rot. Bonds6

About 3-[1-(2-methoxyethyl)pyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine

3-[1-(2-methoxyethyl)pyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 25204252) has the molecular formula C13H14N6OS and a molecular weight of 302.36 g/mol. Its IUPAC name is 3-[1-(2-methoxyethyl)pyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-[1-(2-methoxyethyl)pyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID25204252
Molecular FormulaC13H14N6OS
Molecular Weight302.36 g/mol
Exact Mass302.09
IUPAC Name3-[1-(2-methoxyethyl)pyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine
SMILESCOCCn1cc(-c2nsc(Nc3ccccn3)n2)cn1
InChIInChI=1S/C13H14N6OS/c1-20-7-6-19-9-10(8-15-19)12-17-13(21-18-12)16-11-4-2-3-5-14-11/h2-5,8-9H,6-7H2,1H3,(H,14,16,17,18)
InChIKeySYESMXJYNXLZKB-UHFFFAOYSA-N
XLogP2.19
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methoxyethyl)pyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-[1-(2-methoxyethyl)pyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine (CID 25204252) is 3-[1-(2-methoxyethyl)pyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-[1-(2-methoxyethyl)pyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-[1-(2-methoxyethyl)pyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine is COCCn1cc(-c2nsc(Nc3ccccn3)n2)cn1.
What is the InChIKey of 3-[1-(2-methoxyethyl)pyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is SYESMXJYNXLZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6OS/c1-20-7-6-19-9-10(8-15-19)12-17-13(21-18-12)16-11-4-2-3-5-14-11/h2-5,8-9H,6-7H2,1H3,(H,14,16,17,18).
What are the key properties of 3-[1-(2-methoxyethyl)pyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine?
3-[1-(2-methoxyethyl)pyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 302.36 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methoxyethyl)pyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 25204252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).