N-[4-methyl-5-(2-pyridin-3-ylsulfanyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide

C14H12N4O2S2 — CID 71452282

IUPACN-[4-methyl-5-(2-pyridin-3-ylsulfanyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2cnc(Sc3cccnc3)o2)s1
InChIInChI=1S/C14H12N4O2S2/c1-8-12(22-13(17-8)18-9(2)19)11-7-16-14(20-11)21-10-4-3-5-15-6-10/h3-7H,1-2H3,(H,17,18,19)
InChIKeyCQBDXUUNIGWBDT-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.61
Rot. Bonds4

About N-[4-methyl-5-(2-pyridin-3-ylsulfanyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide

N-[4-methyl-5-(2-pyridin-3-ylsulfanyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 71452282) has the molecular formula C14H12N4O2S2 and a molecular weight of 332.41 g/mol. Its IUPAC name is N-[4-methyl-5-(2-pyridin-3-ylsulfanyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-5-(2-pyridin-3-ylsulfanyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID71452282
Molecular FormulaC14H12N4O2S2
Molecular Weight332.41 g/mol
Exact Mass332.04
IUPAC NameN-[4-methyl-5-(2-pyridin-3-ylsulfanyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2cnc(Sc3cccnc3)o2)s1
InChIInChI=1S/C14H12N4O2S2/c1-8-12(22-13(17-8)18-9(2)19)11-7-16-14(20-11)21-10-4-3-5-15-6-10/h3-7H,1-2H3,(H,17,18,19)
InChIKeyCQBDXUUNIGWBDT-UHFFFAOYSA-N
XLogP3.61
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-methyl-5-(2-pyridin-3-ylsulfanyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide 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-[4-methyl-5-(2-pyridin-3-ylsulfanyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-methyl-5-(2-pyridin-3-ylsulfanyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide (CID 71452282) is N-[4-methyl-5-(2-pyridin-3-ylsulfanyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-methyl-5-(2-pyridin-3-ylsulfanyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-methyl-5-(2-pyridin-3-ylsulfanyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2cnc(Sc3cccnc3)o2)s1.
What is the InChIKey of N-[4-methyl-5-(2-pyridin-3-ylsulfanyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is CQBDXUUNIGWBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S2/c1-8-12(22-13(17-8)18-9(2)19)11-7-16-14(20-11)21-10-4-3-5-15-6-10/h3-7H,1-2H3,(H,17,18,19).
What are the key properties of N-[4-methyl-5-(2-pyridin-3-ylsulfanyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide?
N-[4-methyl-5-(2-pyridin-3-ylsulfanyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 332.41 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-(2-pyridin-3-ylsulfanyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 71452282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).