N-(2-amino-1,3-thiazol-4-yl)-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide

C17H19N5O2S — CID 173044826

IUPACN-(2-amino-1,3-thiazol-4-yl)-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide
SMILESCC(=O)N(CCOc1cccc(-c2cnn(C)c2)c1)c1csc(N)n1
InChIInChI=1S/C17H19N5O2S/c1-12(23)22(16-11-25-17(18)20-16)6-7-24-15-5-3-4-13(8-15)14-9-19-21(2)10-14/h3-5,8-11H,6-7H2,1-2H3,(H2,18,20)
InChIKeyYTBBTPPHEPZAOM-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.56
Rot. Bonds6

About N-(2-amino-1,3-thiazol-4-yl)-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide

N-(2-amino-1,3-thiazol-4-yl)-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide (PubChem CID 173044826) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-(2-amino-1,3-thiazol-4-yl)-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide.

Molecular Properties

Compound NameN-(2-amino-1,3-thiazol-4-yl)-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide
PubChem CID173044826
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC NameN-(2-amino-1,3-thiazol-4-yl)-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide
SMILESCC(=O)N(CCOc1cccc(-c2cnn(C)c2)c1)c1csc(N)n1
InChIInChI=1S/C17H19N5O2S/c1-12(23)22(16-11-25-17(18)20-16)6-7-24-15-5-3-4-13(8-15)14-9-19-21(2)10-14/h3-5,8-11H,6-7H2,1-2H3,(H2,18,20)
InChIKeyYTBBTPPHEPZAOM-UHFFFAOYSA-N
XLogP2.56
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2-amino-1,3-thiazol-4-yl)-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]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-(2-amino-1,3-thiazol-4-yl)-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide?
The IUPAC name of N-(2-amino-1,3-thiazol-4-yl)-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide (CID 173044826) is N-(2-amino-1,3-thiazol-4-yl)-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide.
What is the SMILES notation for N-(2-amino-1,3-thiazol-4-yl)-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide?
The canonical SMILES for N-(2-amino-1,3-thiazol-4-yl)-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide is CC(=O)N(CCOc1cccc(-c2cnn(C)c2)c1)c1csc(N)n1.
What is the InChIKey of N-(2-amino-1,3-thiazol-4-yl)-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide?
The InChIKey is YTBBTPPHEPZAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-12(23)22(16-11-25-17(18)20-16)6-7-24-15-5-3-4-13(8-15)14-9-19-21(2)10-14/h3-5,8-11H,6-7H2,1-2H3,(H2,18,20).
What are the key properties of N-(2-amino-1,3-thiazol-4-yl)-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide?
N-(2-amino-1,3-thiazol-4-yl)-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide has a molecular weight of 357.44 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1,3-thiazol-4-yl)-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide is sourced from PubChem (CID 173044826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).