4-propyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)thiadiazole-5-carboxamide

C14H19N5OS — CID 91629659

IUPAC4-propyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)thiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCc1cnn2c1CCCC2
InChIInChI=1S/C14H19N5OS/c1-2-5-11-13(21-18-17-11)14(20)15-8-10-9-16-19-7-4-3-6-12(10)19/h9H,2-8H2,1H3,(H,15,20)
InChIKeyOXBYERGJEYCORO-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.95
Rot. Bonds5

About 4-propyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)thiadiazole-5-carboxamide

4-propyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)thiadiazole-5-carboxamide (PubChem CID 91629659) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 4-propyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-propyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)thiadiazole-5-carboxamide
PubChem CID91629659
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name4-propyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)thiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCc1cnn2c1CCCC2
InChIInChI=1S/C14H19N5OS/c1-2-5-11-13(21-18-17-11)14(20)15-8-10-9-16-19-7-4-3-6-12(10)19/h9H,2-8H2,1H3,(H,15,20)
InChIKeyOXBYERGJEYCORO-UHFFFAOYSA-N
XLogP1.95
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)thiadiazole-5-carboxamide?
The IUPAC name of 4-propyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)thiadiazole-5-carboxamide (CID 91629659) is 4-propyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-propyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-propyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)thiadiazole-5-carboxamide is CCCc1nnsc1C(=O)NCc1cnn2c1CCCC2.
What is the InChIKey of 4-propyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)thiadiazole-5-carboxamide?
The InChIKey is OXBYERGJEYCORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-2-5-11-13(21-18-17-11)14(20)15-8-10-9-16-19-7-4-3-6-12(10)19/h9H,2-8H2,1H3,(H,15,20).
What are the key properties of 4-propyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)thiadiazole-5-carboxamide?
4-propyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)thiadiazole-5-carboxamide has a molecular weight of 305.41 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 91629659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).