3-[ethyl-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]amino]-2-methylpropanenitrile

C14H19N5S — CID 47395218

IUPAC3-[ethyl-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]amino]-2-methylpropanenitrile
SMILESCCN(Cc1csc(-c2cnn(C)c2)n1)CC(C)C#N
InChIInChI=1S/C14H19N5S/c1-4-19(7-11(2)5-15)9-13-10-20-14(17-13)12-6-16-18(3)8-12/h6,8,10-11H,4,7,9H2,1-3H3
InChIKeyHXNRUZYMYGYADG-UHFFFAOYSA-N
MW289.41 g/mol
LogP2.53
Rot. Bonds6

About 3-[ethyl-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]amino]-2-methylpropanenitrile

3-[ethyl-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]amino]-2-methylpropanenitrile (PubChem CID 47395218) has the molecular formula C14H19N5S and a molecular weight of 289.41 g/mol. Its IUPAC name is 3-[ethyl-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]amino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[ethyl-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]amino]-2-methylpropanenitrile
PubChem CID47395218
Molecular FormulaC14H19N5S
Molecular Weight289.41 g/mol
Exact Mass289.14
IUPAC Name3-[ethyl-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]amino]-2-methylpropanenitrile
SMILESCCN(Cc1csc(-c2cnn(C)c2)n1)CC(C)C#N
InChIInChI=1S/C14H19N5S/c1-4-19(7-11(2)5-15)9-13-10-20-14(17-13)12-6-16-18(3)8-12/h6,8,10-11H,4,7,9H2,1-3H3
InChIKeyHXNRUZYMYGYADG-UHFFFAOYSA-N
XLogP2.53
TPSA57.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.41
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[ethyl-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]amino]-2-methylpropanenitrile 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 3-[ethyl-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]amino]-2-methylpropanenitrile?
The IUPAC name of 3-[ethyl-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]amino]-2-methylpropanenitrile (CID 47395218) is 3-[ethyl-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]amino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[ethyl-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]amino]-2-methylpropanenitrile?
The canonical SMILES for 3-[ethyl-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]amino]-2-methylpropanenitrile is CCN(Cc1csc(-c2cnn(C)c2)n1)CC(C)C#N.
What is the InChIKey of 3-[ethyl-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]amino]-2-methylpropanenitrile?
The InChIKey is HXNRUZYMYGYADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5S/c1-4-19(7-11(2)5-15)9-13-10-20-14(17-13)12-6-16-18(3)8-12/h6,8,10-11H,4,7,9H2,1-3H3.
What are the key properties of 3-[ethyl-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]amino]-2-methylpropanenitrile?
3-[ethyl-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]amino]-2-methylpropanenitrile has a molecular weight of 289.41 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]amino]-2-methylpropanenitrile is sourced from PubChem (CID 47395218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).