N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(4-methyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine

C19H19N5OS2 — CID 44522306

IUPACN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(4-methyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine
SMILESCc1csc(-c2nc(NCCc3c(C)noc3C)ncc2-c2ccsc2)n1
InChIInChI=1S/C19H19N5OS2/c1-11-9-27-18(22-11)17-16(14-5-7-26-10-14)8-21-19(23-17)20-6-4-15-12(2)24-25-13(15)3/h5,7-10H,4,6H2,1-3H3,(H,20,21,23)
InChIKeyAJFWGFVZQZLFRJ-UHFFFAOYSA-N
MW397.53 g/mol
LogP4.90
Rot. Bonds6

About N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(4-methyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine

N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(4-methyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine (PubChem CID 44522306) has the molecular formula C19H19N5OS2 and a molecular weight of 397.53 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(4-methyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(4-methyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine
PubChem CID44522306
Molecular FormulaC19H19N5OS2
Molecular Weight397.53 g/mol
Exact Mass397.10
IUPAC NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(4-methyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine
SMILESCc1csc(-c2nc(NCCc3c(C)noc3C)ncc2-c2ccsc2)n1
InChIInChI=1S/C19H19N5OS2/c1-11-9-27-18(22-11)17-16(14-5-7-26-10-14)8-21-19(23-17)20-6-4-15-12(2)24-25-13(15)3/h5,7-10H,4,6H2,1-3H3,(H,20,21,23)
InChIKeyAJFWGFVZQZLFRJ-UHFFFAOYSA-N
XLogP4.90
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.53
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(4-methyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine 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-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(4-methyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine?
The IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(4-methyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine (CID 44522306) is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(4-methyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(4-methyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine?
The canonical SMILES for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(4-methyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine is Cc1csc(-c2nc(NCCc3c(C)noc3C)ncc2-c2ccsc2)n1.
What is the InChIKey of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(4-methyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine?
The InChIKey is AJFWGFVZQZLFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5OS2/c1-11-9-27-18(22-11)17-16(14-5-7-26-10-14)8-21-19(23-17)20-6-4-15-12(2)24-25-13(15)3/h5,7-10H,4,6H2,1-3H3,(H,20,21,23).
What are the key properties of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(4-methyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine?
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(4-methyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine has a molecular weight of 397.53 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(4-methyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine is sourced from PubChem (CID 44522306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).