N-(5-ethyl-1,3-thiazol-2-yl)-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide

C15H15N5OS2 — CID 90958058

IUPACN-(5-ethyl-1,3-thiazol-2-yl)-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide
SMILESCCc1cnc(NC(=O)c2nc(C)sc2Nc2cccnc2)s1
InChIInChI=1S/C15H15N5OS2/c1-3-11-8-17-15(23-11)20-13(21)12-14(22-9(2)18-12)19-10-5-4-6-16-7-10/h4-8,19H,3H2,1-2H3,(H,17,20,21)
InChIKeyZUHJPIKIZLRLPS-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.86
Rot. Bonds5

About N-(5-ethyl-1,3-thiazol-2-yl)-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide

N-(5-ethyl-1,3-thiazol-2-yl)-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide (PubChem CID 90958058) has the molecular formula C15H15N5OS2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-(5-ethyl-1,3-thiazol-2-yl)-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3-thiazol-2-yl)-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide
PubChem CID90958058
Molecular FormulaC15H15N5OS2
Molecular Weight345.45 g/mol
Exact Mass345.07
IUPAC NameN-(5-ethyl-1,3-thiazol-2-yl)-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide
SMILESCCc1cnc(NC(=O)c2nc(C)sc2Nc2cccnc2)s1
InChIInChI=1S/C15H15N5OS2/c1-3-11-8-17-15(23-11)20-13(21)12-14(22-9(2)18-12)19-10-5-4-6-16-7-10/h4-8,19H,3H2,1-2H3,(H,17,20,21)
InChIKeyZUHJPIKIZLRLPS-UHFFFAOYSA-N
XLogP3.86
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(5-ethyl-1,3-thiazol-2-yl)-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-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 N-(5-ethyl-1,3-thiazol-2-yl)-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(5-ethyl-1,3-thiazol-2-yl)-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide (CID 90958058) is N-(5-ethyl-1,3-thiazol-2-yl)-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3-thiazol-2-yl)-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3-thiazol-2-yl)-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide is CCc1cnc(NC(=O)c2nc(C)sc2Nc2cccnc2)s1.
What is the InChIKey of N-(5-ethyl-1,3-thiazol-2-yl)-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is ZUHJPIKIZLRLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS2/c1-3-11-8-17-15(23-11)20-13(21)12-14(22-9(2)18-12)19-10-5-4-6-16-7-10/h4-8,19H,3H2,1-2H3,(H,17,20,21).
What are the key properties of N-(5-ethyl-1,3-thiazol-2-yl)-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide?
N-(5-ethyl-1,3-thiazol-2-yl)-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3-thiazol-2-yl)-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90958058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).