N-methyl-2-[(E)-2-(2-pyridin-2-yl-1,3-thiazol-5-yl)ethenyl]-1,3-thiazole-5-carboxamide

C15H12N4OS2 — CID 75535793

IUPACN-methyl-2-[(E)-2-(2-pyridin-2-yl-1,3-thiazol-5-yl)ethenyl]-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1cnc(/C=C/c2cnc(-c3ccccn3)s2)s1
InChIInChI=1S/C15H12N4OS2/c1-16-14(20)12-9-18-13(22-12)6-5-10-8-19-15(21-10)11-4-2-3-7-17-11/h2-9H,1H3,(H,16,20)/b6-5+
InChIKeyACJFRTNDMFGKNB-AATRIKPKSA-N
MW328.42 g/mol
LogP3.19
Rot. Bonds4

About N-methyl-2-[(E)-2-(2-pyridin-2-yl-1,3-thiazol-5-yl)ethenyl]-1,3-thiazole-5-carboxamide

N-methyl-2-[(E)-2-(2-pyridin-2-yl-1,3-thiazol-5-yl)ethenyl]-1,3-thiazole-5-carboxamide (PubChem CID 75535793) has the molecular formula C15H12N4OS2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-methyl-2-[(E)-2-(2-pyridin-2-yl-1,3-thiazol-5-yl)ethenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-2-[(E)-2-(2-pyridin-2-yl-1,3-thiazol-5-yl)ethenyl]-1,3-thiazole-5-carboxamide
PubChem CID75535793
Molecular FormulaC15H12N4OS2
Molecular Weight328.42 g/mol
Exact Mass328.05
IUPAC NameN-methyl-2-[(E)-2-(2-pyridin-2-yl-1,3-thiazol-5-yl)ethenyl]-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1cnc(/C=C/c2cnc(-c3ccccn3)s2)s1
InChIInChI=1S/C15H12N4OS2/c1-16-14(20)12-9-18-13(22-12)6-5-10-8-19-15(21-10)11-4-2-3-7-17-11/h2-9H,1H3,(H,16,20)/b6-5+
InChIKeyACJFRTNDMFGKNB-AATRIKPKSA-N
XLogP3.19
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-2-[(E)-2-(2-pyridin-2-yl-1,3-thiazol-5-yl)ethenyl]-1,3-thiazole-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-methyl-2-[(E)-2-(2-pyridin-2-yl-1,3-thiazol-5-yl)ethenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-methyl-2-[(E)-2-(2-pyridin-2-yl-1,3-thiazol-5-yl)ethenyl]-1,3-thiazole-5-carboxamide (CID 75535793) is N-methyl-2-[(E)-2-(2-pyridin-2-yl-1,3-thiazol-5-yl)ethenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-methyl-2-[(E)-2-(2-pyridin-2-yl-1,3-thiazol-5-yl)ethenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-methyl-2-[(E)-2-(2-pyridin-2-yl-1,3-thiazol-5-yl)ethenyl]-1,3-thiazole-5-carboxamide is CNC(=O)c1cnc(/C=C/c2cnc(-c3ccccn3)s2)s1.
What is the InChIKey of N-methyl-2-[(E)-2-(2-pyridin-2-yl-1,3-thiazol-5-yl)ethenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is ACJFRTNDMFGKNB-AATRIKPKSA-N. The full InChI is InChI=1S/C15H12N4OS2/c1-16-14(20)12-9-18-13(22-12)6-5-10-8-19-15(21-10)11-4-2-3-7-17-11/h2-9H,1H3,(H,16,20)/b6-5+.
What are the key properties of N-methyl-2-[(E)-2-(2-pyridin-2-yl-1,3-thiazol-5-yl)ethenyl]-1,3-thiazole-5-carboxamide?
N-methyl-2-[(E)-2-(2-pyridin-2-yl-1,3-thiazol-5-yl)ethenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(E)-2-(2-pyridin-2-yl-1,3-thiazol-5-yl)ethenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 75535793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).