N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-(dimethylamino)pyridine-3-carboxamide

C13H15N5OS — CID 78859395

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-(dimethylamino)pyridine-3-carboxamide
SMILESCN(C)c1ccc(C(=O)Nc2nnc(C3CC3)s2)cn1
InChIInChI=1S/C13H15N5OS/c1-18(2)10-6-5-9(7-14-10)11(19)15-13-17-16-12(20-13)8-3-4-8/h5-8H,3-4H2,1-2H3,(H,15,17,19)
InChIKeyMCXRLVOWDLBQQP-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.13
Rot. Bonds4

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-(dimethylamino)pyridine-3-carboxamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-(dimethylamino)pyridine-3-carboxamide (PubChem CID 78859395) has the molecular formula C13H15N5OS and a molecular weight of 289.36 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-(dimethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-(dimethylamino)pyridine-3-carboxamide
PubChem CID78859395
Molecular FormulaC13H15N5OS
Molecular Weight289.36 g/mol
Exact Mass289.10
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-(dimethylamino)pyridine-3-carboxamide
SMILESCN(C)c1ccc(C(=O)Nc2nnc(C3CC3)s2)cn1
InChIInChI=1S/C13H15N5OS/c1-18(2)10-6-5-9(7-14-10)11(19)15-13-17-16-12(20-13)8-3-4-8/h5-8H,3-4H2,1-2H3,(H,15,17,19)
InChIKeyMCXRLVOWDLBQQP-UHFFFAOYSA-N
XLogP2.13
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-(dimethylamino)pyridine-3-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-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-(dimethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-(dimethylamino)pyridine-3-carboxamide (CID 78859395) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-(dimethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-(dimethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-(dimethylamino)pyridine-3-carboxamide is CN(C)c1ccc(C(=O)Nc2nnc(C3CC3)s2)cn1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-(dimethylamino)pyridine-3-carboxamide?
The InChIKey is MCXRLVOWDLBQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5OS/c1-18(2)10-6-5-9(7-14-10)11(19)15-13-17-16-12(20-13)8-3-4-8/h5-8H,3-4H2,1-2H3,(H,15,17,19).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-(dimethylamino)pyridine-3-carboxamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-(dimethylamino)pyridine-3-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-(dimethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 78859395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).