2-(5-methylfuran-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide

C18H13N5O2S — CID 122188902

IUPAC2-(5-methylfuran-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3nnc(-c4ccncc4)s3)ccn2)o1
InChIInChI=1S/C18H13N5O2S/c1-11-2-3-15(25-11)14-10-13(6-9-20-14)16(24)21-18-23-22-17(26-18)12-4-7-19-8-5-12/h2-10H,1H3,(H,21,23,24)
InChIKeyGFWOFKBCUHVSIL-UHFFFAOYSA-N
MW363.40 g/mol
LogP3.82
Rot. Bonds4

About 2-(5-methylfuran-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide

2-(5-methylfuran-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide (PubChem CID 122188902) has the molecular formula C18H13N5O2S and a molecular weight of 363.40 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide
PubChem CID122188902
Molecular FormulaC18H13N5O2S
Molecular Weight363.40 g/mol
Exact Mass363.08
IUPAC Name2-(5-methylfuran-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3nnc(-c4ccncc4)s3)ccn2)o1
InChIInChI=1S/C18H13N5O2S/c1-11-2-3-15(25-11)14-10-13(6-9-20-14)16(24)21-18-23-22-17(26-18)12-4-7-19-8-5-12/h2-10H,1H3,(H,21,23,24)
InChIKeyGFWOFKBCUHVSIL-UHFFFAOYSA-N
XLogP3.82
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(5-methylfuran-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-4-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 2-(5-methylfuran-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide?
The IUPAC name of 2-(5-methylfuran-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide (CID 122188902) is 2-(5-methylfuran-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-(5-methylfuran-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3nnc(-c4ccncc4)s3)ccn2)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide?
The InChIKey is GFWOFKBCUHVSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O2S/c1-11-2-3-15(25-11)14-10-13(6-9-20-14)16(24)21-18-23-22-17(26-18)12-4-7-19-8-5-12/h2-10H,1H3,(H,21,23,24).
What are the key properties of 2-(5-methylfuran-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide?
2-(5-methylfuran-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide has a molecular weight of 363.40 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 122188902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).