4-methyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]thiadiazole-5-carboxamide

C14H14N6OS — CID 71807812

IUPAC4-methyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCCn1ccc(-c2ccncc2)n1
InChIInChI=1S/C14H14N6OS/c1-10-13(22-19-17-10)14(21)16-7-9-20-8-4-12(18-20)11-2-5-15-6-3-11/h2-6,8H,7,9H2,1H3,(H,16,21)
InChIKeyNIONXFHTXWWPPH-UHFFFAOYSA-N
MW314.37 g/mol
LogP1.54
Rot. Bonds5

About 4-methyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]thiadiazole-5-carboxamide

4-methyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]thiadiazole-5-carboxamide (PubChem CID 71807812) has the molecular formula C14H14N6OS and a molecular weight of 314.37 g/mol. Its IUPAC name is 4-methyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]thiadiazole-5-carboxamide
PubChem CID71807812
Molecular FormulaC14H14N6OS
Molecular Weight314.37 g/mol
Exact Mass314.09
IUPAC Name4-methyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCCn1ccc(-c2ccncc2)n1
InChIInChI=1S/C14H14N6OS/c1-10-13(22-19-17-10)14(21)16-7-9-20-8-4-12(18-20)11-2-5-15-6-3-11/h2-6,8H,7,9H2,1H3,(H,16,21)
InChIKeyNIONXFHTXWWPPH-UHFFFAOYSA-N
XLogP1.54
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]thiadiazole-5-carboxamide (CID 71807812) is 4-methyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]thiadiazole-5-carboxamide is Cc1nnsc1C(=O)NCCn1ccc(-c2ccncc2)n1.
What is the InChIKey of 4-methyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]thiadiazole-5-carboxamide?
The InChIKey is NIONXFHTXWWPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6OS/c1-10-13(22-19-17-10)14(21)16-7-9-20-8-4-12(18-20)11-2-5-15-6-3-11/h2-6,8H,7,9H2,1H3,(H,16,21).
What are the key properties of 4-methyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]thiadiazole-5-carboxamide?
4-methyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]thiadiazole-5-carboxamide has a molecular weight of 314.37 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 71807812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).