N-(3-methylphenyl)-3-(2-pyridin-2-ylethyl)-4-thiophen-2-yl-1,3-thiazol-2-imine

C21H19N3S2 — CID 23790168

IUPACN-(3-methylphenyl)-3-(2-pyridin-2-ylethyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESCc1cccc(/N=c2\scc(-c3cccs3)n2CCc2ccccn2)c1
InChIInChI=1S/C21H19N3S2/c1-16-6-4-8-18(14-16)23-21-24(12-10-17-7-2-3-11-22-17)19(15-26-21)20-9-5-13-25-20/h2-9,11,13-15H,10,12H2,1H3/b23-21-
InChIKeyVMOPHCSCSKRKNY-LNVKXUELSA-N
MW377.54 g/mol
LogP5.46
Rot. Bonds5

About N-(3-methylphenyl)-3-(2-pyridin-2-ylethyl)-4-thiophen-2-yl-1,3-thiazol-2-imine

N-(3-methylphenyl)-3-(2-pyridin-2-ylethyl)-4-thiophen-2-yl-1,3-thiazol-2-imine (PubChem CID 23790168) has the molecular formula C21H19N3S2 and a molecular weight of 377.54 g/mol. Its IUPAC name is N-(3-methylphenyl)-3-(2-pyridin-2-ylethyl)-4-thiophen-2-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(3-methylphenyl)-3-(2-pyridin-2-ylethyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
PubChem CID23790168
Molecular FormulaC21H19N3S2
Molecular Weight377.54 g/mol
Exact Mass377.10
IUPAC NameN-(3-methylphenyl)-3-(2-pyridin-2-ylethyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESCc1cccc(/N=c2\scc(-c3cccs3)n2CCc2ccccn2)c1
InChIInChI=1S/C21H19N3S2/c1-16-6-4-8-18(14-16)23-21-24(12-10-17-7-2-3-11-22-17)19(15-26-21)20-9-5-13-25-20/h2-9,11,13-15H,10,12H2,1H3/b23-21-
InChIKeyVMOPHCSCSKRKNY-LNVKXUELSA-N
XLogP5.46
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.54
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-3-(2-pyridin-2-ylethyl)-4-thiophen-2-yl-1,3-thiazol-2-imine?
The IUPAC name of N-(3-methylphenyl)-3-(2-pyridin-2-ylethyl)-4-thiophen-2-yl-1,3-thiazol-2-imine (CID 23790168) is N-(3-methylphenyl)-3-(2-pyridin-2-ylethyl)-4-thiophen-2-yl-1,3-thiazol-2-imine.
What is the SMILES notation for N-(3-methylphenyl)-3-(2-pyridin-2-ylethyl)-4-thiophen-2-yl-1,3-thiazol-2-imine?
The canonical SMILES for N-(3-methylphenyl)-3-(2-pyridin-2-ylethyl)-4-thiophen-2-yl-1,3-thiazol-2-imine is Cc1cccc(/N=c2\scc(-c3cccs3)n2CCc2ccccn2)c1.
What is the InChIKey of N-(3-methylphenyl)-3-(2-pyridin-2-ylethyl)-4-thiophen-2-yl-1,3-thiazol-2-imine?
The InChIKey is VMOPHCSCSKRKNY-LNVKXUELSA-N. The full InChI is InChI=1S/C21H19N3S2/c1-16-6-4-8-18(14-16)23-21-24(12-10-17-7-2-3-11-22-17)19(15-26-21)20-9-5-13-25-20/h2-9,11,13-15H,10,12H2,1H3/b23-21-.
What are the key properties of N-(3-methylphenyl)-3-(2-pyridin-2-ylethyl)-4-thiophen-2-yl-1,3-thiazol-2-imine?
N-(3-methylphenyl)-3-(2-pyridin-2-ylethyl)-4-thiophen-2-yl-1,3-thiazol-2-imine has a molecular weight of 377.54 g/mol, XLogP of 5.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-3-(2-pyridin-2-ylethyl)-4-thiophen-2-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 23790168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).