1-(2-cyclopropyl-1,3-thiazol-5-yl)-N-(4-methylphenyl)methanimine

C14H14N2S — CID 129221023

IUPAC1-(2-cyclopropyl-1,3-thiazol-5-yl)-N-(4-methylphenyl)methanimine
SMILESCc1ccc(/N=C/c2cnc(C3CC3)s2)cc1
InChIInChI=1S/C14H14N2S/c1-10-2-6-12(7-3-10)15-8-13-9-16-14(17-13)11-4-5-11/h2-3,6-9,11H,4-5H2,1H3/b15-8+
InChIKeyKUIKEQAHQJMTOV-OVCLIPMQSA-N
MW242.35 g/mol
LogP4.08
Rot. Bonds3

About 1-(2-cyclopropyl-1,3-thiazol-5-yl)-N-(4-methylphenyl)methanimine

1-(2-cyclopropyl-1,3-thiazol-5-yl)-N-(4-methylphenyl)methanimine (PubChem CID 129221023) has the molecular formula C14H14N2S and a molecular weight of 242.35 g/mol. Its IUPAC name is 1-(2-cyclopropyl-1,3-thiazol-5-yl)-N-(4-methylphenyl)methanimine.

Molecular Properties

Compound Name1-(2-cyclopropyl-1,3-thiazol-5-yl)-N-(4-methylphenyl)methanimine
PubChem CID129221023
Molecular FormulaC14H14N2S
Molecular Weight242.35 g/mol
Exact Mass242.09
IUPAC Name1-(2-cyclopropyl-1,3-thiazol-5-yl)-N-(4-methylphenyl)methanimine
SMILESCc1ccc(/N=C/c2cnc(C3CC3)s2)cc1
InChIInChI=1S/C14H14N2S/c1-10-2-6-12(7-3-10)15-8-13-9-16-14(17-13)11-4-5-11/h2-3,6-9,11H,4-5H2,1H3/b15-8+
InChIKeyKUIKEQAHQJMTOV-OVCLIPMQSA-N
XLogP4.08
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-1,3-thiazol-5-yl)-N-(4-methylphenyl)methanimine?
The IUPAC name of 1-(2-cyclopropyl-1,3-thiazol-5-yl)-N-(4-methylphenyl)methanimine (CID 129221023) is 1-(2-cyclopropyl-1,3-thiazol-5-yl)-N-(4-methylphenyl)methanimine.
What is the SMILES notation for 1-(2-cyclopropyl-1,3-thiazol-5-yl)-N-(4-methylphenyl)methanimine?
The canonical SMILES for 1-(2-cyclopropyl-1,3-thiazol-5-yl)-N-(4-methylphenyl)methanimine is Cc1ccc(/N=C/c2cnc(C3CC3)s2)cc1.
What is the InChIKey of 1-(2-cyclopropyl-1,3-thiazol-5-yl)-N-(4-methylphenyl)methanimine?
The InChIKey is KUIKEQAHQJMTOV-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H14N2S/c1-10-2-6-12(7-3-10)15-8-13-9-16-14(17-13)11-4-5-11/h2-3,6-9,11H,4-5H2,1H3/b15-8+.
What are the key properties of 1-(2-cyclopropyl-1,3-thiazol-5-yl)-N-(4-methylphenyl)methanimine?
1-(2-cyclopropyl-1,3-thiazol-5-yl)-N-(4-methylphenyl)methanimine has a molecular weight of 242.35 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-1,3-thiazol-5-yl)-N-(4-methylphenyl)methanimine is sourced from PubChem (CID 129221023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).