(2R)-2-(4-methyl-1,3-thiazol-2-yl)-3-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]iminopropanenitrile

C19H21N3S — CID 8821627

IUPAC(2R)-2-(4-methyl-1,3-thiazol-2-yl)-3-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]iminopropanenitrile
SMILESCc1csc([C@@H](C#N)/C=N/[C@H](C)c2ccc3c(c2)CCCC3)n1
InChIInChI=1S/C19H21N3S/c1-13-12-23-19(22-13)18(10-20)11-21-14(2)16-8-7-15-5-3-4-6-17(15)9-16/h7-9,11-12,14,18H,3-6H2,1-2H3/b21-11+/t14-,18+/m1/s1
InChIKeySYVXLDFSZDZFGH-VUYHKVBESA-N
MW323.47 g/mol
LogP4.77
Rot. Bonds4

About (2R)-2-(4-methyl-1,3-thiazol-2-yl)-3-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]iminopropanenitrile

(2R)-2-(4-methyl-1,3-thiazol-2-yl)-3-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]iminopropanenitrile (PubChem CID 8821627) has the molecular formula C19H21N3S and a molecular weight of 323.47 g/mol. Its IUPAC name is (2R)-2-(4-methyl-1,3-thiazol-2-yl)-3-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]iminopropanenitrile.

Molecular Properties

Compound Name(2R)-2-(4-methyl-1,3-thiazol-2-yl)-3-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]iminopropanenitrile
PubChem CID8821627
Molecular FormulaC19H21N3S
Molecular Weight323.47 g/mol
Exact Mass323.15
IUPAC Name(2R)-2-(4-methyl-1,3-thiazol-2-yl)-3-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]iminopropanenitrile
SMILESCc1csc([C@@H](C#N)/C=N/[C@H](C)c2ccc3c(c2)CCCC3)n1
InChIInChI=1S/C19H21N3S/c1-13-12-23-19(22-13)18(10-20)11-21-14(2)16-8-7-15-5-3-4-6-17(15)9-16/h7-9,11-12,14,18H,3-6H2,1-2H3/b21-11+/t14-,18+/m1/s1
InChIKeySYVXLDFSZDZFGH-VUYHKVBESA-N
XLogP4.77
TPSA49.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.47
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-2-(4-methyl-1,3-thiazol-2-yl)-3-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]iminopropanenitrile 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 (2R)-2-(4-methyl-1,3-thiazol-2-yl)-3-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]iminopropanenitrile?
The IUPAC name of (2R)-2-(4-methyl-1,3-thiazol-2-yl)-3-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]iminopropanenitrile (CID 8821627) is (2R)-2-(4-methyl-1,3-thiazol-2-yl)-3-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]iminopropanenitrile.
What is the SMILES notation for (2R)-2-(4-methyl-1,3-thiazol-2-yl)-3-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]iminopropanenitrile?
The canonical SMILES for (2R)-2-(4-methyl-1,3-thiazol-2-yl)-3-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]iminopropanenitrile is Cc1csc([C@@H](C#N)/C=N/[C@H](C)c2ccc3c(c2)CCCC3)n1.
What is the InChIKey of (2R)-2-(4-methyl-1,3-thiazol-2-yl)-3-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]iminopropanenitrile?
The InChIKey is SYVXLDFSZDZFGH-VUYHKVBESA-N. The full InChI is InChI=1S/C19H21N3S/c1-13-12-23-19(22-13)18(10-20)11-21-14(2)16-8-7-15-5-3-4-6-17(15)9-16/h7-9,11-12,14,18H,3-6H2,1-2H3/b21-11+/t14-,18+/m1/s1.
What are the key properties of (2R)-2-(4-methyl-1,3-thiazol-2-yl)-3-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]iminopropanenitrile?
(2R)-2-(4-methyl-1,3-thiazol-2-yl)-3-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]iminopropanenitrile has a molecular weight of 323.47 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methyl-1,3-thiazol-2-yl)-3-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]iminopropanenitrile is sourced from PubChem (CID 8821627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).