N-[[2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]-N-(1-propan-2-ylpyrazol-3-yl)prop-2-enamide

C16H22N4O2S — CID 166423726

IUPACN-[[2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]-N-(1-propan-2-ylpyrazol-3-yl)prop-2-enamide
SMILESC=CC(=O)N(Cc1cnc(CCOC)s1)c1ccn(C(C)C)n1
InChIInChI=1S/C16H22N4O2S/c1-5-16(21)19(14-6-8-20(18-14)12(2)3)11-13-10-17-15(23-13)7-9-22-4/h5-6,8,10,12H,1,7,9,11H2,2-4H3
InChIKeyNRRAKWWJJKCZPQ-UHFFFAOYSA-N
MW334.45 g/mol
LogP2.83
Rot. Bonds8

About N-[[2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]-N-(1-propan-2-ylpyrazol-3-yl)prop-2-enamide

N-[[2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]-N-(1-propan-2-ylpyrazol-3-yl)prop-2-enamide (PubChem CID 166423726) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is N-[[2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]-N-(1-propan-2-ylpyrazol-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-[[2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]-N-(1-propan-2-ylpyrazol-3-yl)prop-2-enamide
PubChem CID166423726
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC NameN-[[2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]-N-(1-propan-2-ylpyrazol-3-yl)prop-2-enamide
SMILESC=CC(=O)N(Cc1cnc(CCOC)s1)c1ccn(C(C)C)n1
InChIInChI=1S/C16H22N4O2S/c1-5-16(21)19(14-6-8-20(18-14)12(2)3)11-13-10-17-15(23-13)7-9-22-4/h5-6,8,10,12H,1,7,9,11H2,2-4H3
InChIKeyNRRAKWWJJKCZPQ-UHFFFAOYSA-N
XLogP2.83
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[[2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]-N-(1-propan-2-ylpyrazol-3-yl)prop-2-enamide 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-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]-N-(1-propan-2-ylpyrazol-3-yl)prop-2-enamide?
The IUPAC name of N-[[2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]-N-(1-propan-2-ylpyrazol-3-yl)prop-2-enamide (CID 166423726) is N-[[2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]-N-(1-propan-2-ylpyrazol-3-yl)prop-2-enamide.
What is the SMILES notation for N-[[2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]-N-(1-propan-2-ylpyrazol-3-yl)prop-2-enamide?
The canonical SMILES for N-[[2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]-N-(1-propan-2-ylpyrazol-3-yl)prop-2-enamide is C=CC(=O)N(Cc1cnc(CCOC)s1)c1ccn(C(C)C)n1.
What is the InChIKey of N-[[2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]-N-(1-propan-2-ylpyrazol-3-yl)prop-2-enamide?
The InChIKey is NRRAKWWJJKCZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-5-16(21)19(14-6-8-20(18-14)12(2)3)11-13-10-17-15(23-13)7-9-22-4/h5-6,8,10,12H,1,7,9,11H2,2-4H3.
What are the key properties of N-[[2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]-N-(1-propan-2-ylpyrazol-3-yl)prop-2-enamide?
N-[[2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]-N-(1-propan-2-ylpyrazol-3-yl)prop-2-enamide has a molecular weight of 334.45 g/mol, XLogP of 2.83, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]-N-(1-propan-2-ylpyrazol-3-yl)prop-2-enamide is sourced from PubChem (CID 166423726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).