3-[(2R)-2-(diethylamino)-2-phenylethyl]imino-2-(4-methyl-1,3-thiazol-2-yl)propanenitrile

C19H24N4S — CID 8812706

IUPAC3-[(2R)-2-(diethylamino)-2-phenylethyl]imino-2-(4-methyl-1,3-thiazol-2-yl)propanenitrile
SMILESCCN(CC)[C@@H](C/N=C/C(C#N)c1nc(C)cs1)c1ccccc1
InChIInChI=1S/C19H24N4S/c1-4-23(5-2)18(16-9-7-6-8-10-16)13-21-12-17(11-20)19-22-15(3)14-24-19/h6-10,12,14,17-18H,4-5,13H2,1-3H3/b21-12+/t17?,18-/m0/s1
InChIKeyYAXPWACBWOXHSD-UVGWDOLBSA-N
MW340.50 g/mol
LogP4.21
Rot. Bonds8

About 3-[(2R)-2-(diethylamino)-2-phenylethyl]imino-2-(4-methyl-1,3-thiazol-2-yl)propanenitrile

3-[(2R)-2-(diethylamino)-2-phenylethyl]imino-2-(4-methyl-1,3-thiazol-2-yl)propanenitrile (PubChem CID 8812706) has the molecular formula C19H24N4S and a molecular weight of 340.50 g/mol. Its IUPAC name is 3-[(2R)-2-(diethylamino)-2-phenylethyl]imino-2-(4-methyl-1,3-thiazol-2-yl)propanenitrile.

Molecular Properties

Compound Name3-[(2R)-2-(diethylamino)-2-phenylethyl]imino-2-(4-methyl-1,3-thiazol-2-yl)propanenitrile
PubChem CID8812706
Molecular FormulaC19H24N4S
Molecular Weight340.50 g/mol
Exact Mass340.17
IUPAC Name3-[(2R)-2-(diethylamino)-2-phenylethyl]imino-2-(4-methyl-1,3-thiazol-2-yl)propanenitrile
SMILESCCN(CC)[C@@H](C/N=C/C(C#N)c1nc(C)cs1)c1ccccc1
InChIInChI=1S/C19H24N4S/c1-4-23(5-2)18(16-9-7-6-8-10-16)13-21-12-17(11-20)19-22-15(3)14-24-19/h6-10,12,14,17-18H,4-5,13H2,1-3H3/b21-12+/t17?,18-/m0/s1
InChIKeyYAXPWACBWOXHSD-UVGWDOLBSA-N
XLogP4.21
TPSA52.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.50
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-[(2R)-2-(diethylamino)-2-phenylethyl]imino-2-(4-methyl-1,3-thiazol-2-yl)propanenitrile 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-[(2R)-2-(diethylamino)-2-phenylethyl]imino-2-(4-methyl-1,3-thiazol-2-yl)propanenitrile?
The IUPAC name of 3-[(2R)-2-(diethylamino)-2-phenylethyl]imino-2-(4-methyl-1,3-thiazol-2-yl)propanenitrile (CID 8812706) is 3-[(2R)-2-(diethylamino)-2-phenylethyl]imino-2-(4-methyl-1,3-thiazol-2-yl)propanenitrile.
What is the SMILES notation for 3-[(2R)-2-(diethylamino)-2-phenylethyl]imino-2-(4-methyl-1,3-thiazol-2-yl)propanenitrile?
The canonical SMILES for 3-[(2R)-2-(diethylamino)-2-phenylethyl]imino-2-(4-methyl-1,3-thiazol-2-yl)propanenitrile is CCN(CC)[C@@H](C/N=C/C(C#N)c1nc(C)cs1)c1ccccc1.
What is the InChIKey of 3-[(2R)-2-(diethylamino)-2-phenylethyl]imino-2-(4-methyl-1,3-thiazol-2-yl)propanenitrile?
The InChIKey is YAXPWACBWOXHSD-UVGWDOLBSA-N. The full InChI is InChI=1S/C19H24N4S/c1-4-23(5-2)18(16-9-7-6-8-10-16)13-21-12-17(11-20)19-22-15(3)14-24-19/h6-10,12,14,17-18H,4-5,13H2,1-3H3/b21-12+/t17?,18-/m0/s1.
What are the key properties of 3-[(2R)-2-(diethylamino)-2-phenylethyl]imino-2-(4-methyl-1,3-thiazol-2-yl)propanenitrile?
3-[(2R)-2-(diethylamino)-2-phenylethyl]imino-2-(4-methyl-1,3-thiazol-2-yl)propanenitrile has a molecular weight of 340.50 g/mol, XLogP of 4.21, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-(diethylamino)-2-phenylethyl]imino-2-(4-methyl-1,3-thiazol-2-yl)propanenitrile is sourced from PubChem (CID 8812706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).