N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-4-propylthiadiazole-5-carboxamide

C14H19N5O2S — CID 90615173

IUPACN-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCCn1ncc2c1CCOC2
InChIInChI=1S/C14H19N5O2S/c1-2-3-11-13(22-18-17-11)14(20)15-5-6-19-12-4-7-21-9-10(12)8-16-19/h8H,2-7,9H2,1H3,(H,15,20)
InChIKeyOGFHZVPJSFNIPC-UHFFFAOYSA-N
MW321.41 g/mol
LogP1.19
Rot. Bonds6

About N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-4-propylthiadiazole-5-carboxamide

N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-4-propylthiadiazole-5-carboxamide (PubChem CID 90615173) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-4-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-4-propylthiadiazole-5-carboxamide
PubChem CID90615173
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC NameN-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCCn1ncc2c1CCOC2
InChIInChI=1S/C14H19N5O2S/c1-2-3-11-13(22-18-17-11)14(20)15-5-6-19-12-4-7-21-9-10(12)8-16-19/h8H,2-7,9H2,1H3,(H,15,20)
InChIKeyOGFHZVPJSFNIPC-UHFFFAOYSA-N
XLogP1.19
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-4-propylthiadiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-4-propylthiadiazole-5-carboxamide?
The IUPAC name of N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-4-propylthiadiazole-5-carboxamide (CID 90615173) is N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-4-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-4-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-4-propylthiadiazole-5-carboxamide is CCCc1nnsc1C(=O)NCCn1ncc2c1CCOC2.
What is the InChIKey of N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-4-propylthiadiazole-5-carboxamide?
The InChIKey is OGFHZVPJSFNIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-2-3-11-13(22-18-17-11)14(20)15-5-6-19-12-4-7-21-9-10(12)8-16-19/h8H,2-7,9H2,1H3,(H,15,20).
What are the key properties of N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-4-propylthiadiazole-5-carboxamide?
N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-4-propylthiadiazole-5-carboxamide has a molecular weight of 321.41 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-4-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 90615173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).