4-(2-methoxyphenyl)-3-methyl-1,3-thiazol-2-imine

C11H12N2OS — CID 125485703

IUPAC4-(2-methoxyphenyl)-3-methyl-1,3-thiazol-2-imine
SMILES[H]/N=c1\scc(-c2ccccc2OC)n1C
InChIInChI=1S/C11H12N2OS/c1-13-9(7-15-11(13)12)8-5-3-4-6-10(8)14-2/h3-7,12H,1-2H3/b12-11-
InChIKeyDPEMVGGGENTCTR-QXMHVHEDSA-N
MW220.30 g/mol
LogP2.24
Rot. Bonds2

About 4-(2-methoxyphenyl)-3-methyl-1,3-thiazol-2-imine

4-(2-methoxyphenyl)-3-methyl-1,3-thiazol-2-imine (PubChem CID 125485703) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-3-methyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-3-methyl-1,3-thiazol-2-imine
PubChem CID125485703
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name4-(2-methoxyphenyl)-3-methyl-1,3-thiazol-2-imine
SMILES[H]/N=c1\scc(-c2ccccc2OC)n1C
InChIInChI=1S/C11H12N2OS/c1-13-9(7-15-11(13)12)8-5-3-4-6-10(8)14-2/h3-7,12H,1-2H3/b12-11-
InChIKeyDPEMVGGGENTCTR-QXMHVHEDSA-N
XLogP2.24
TPSA38.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-(2-methoxyphenyl)-3-methyl-1,3-thiazol-2-imine?
The IUPAC name of 4-(2-methoxyphenyl)-3-methyl-1,3-thiazol-2-imine (CID 125485703) is 4-(2-methoxyphenyl)-3-methyl-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(2-methoxyphenyl)-3-methyl-1,3-thiazol-2-imine?
The canonical SMILES for 4-(2-methoxyphenyl)-3-methyl-1,3-thiazol-2-imine is [H]/N=c1\scc(-c2ccccc2OC)n1C.
What is the InChIKey of 4-(2-methoxyphenyl)-3-methyl-1,3-thiazol-2-imine?
The InChIKey is DPEMVGGGENTCTR-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-13-9(7-15-11(13)12)8-5-3-4-6-10(8)14-2/h3-7,12H,1-2H3/b12-11-.
What are the key properties of 4-(2-methoxyphenyl)-3-methyl-1,3-thiazol-2-imine?
4-(2-methoxyphenyl)-3-methyl-1,3-thiazol-2-imine has a molecular weight of 220.30 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-3-methyl-1,3-thiazol-2-imine is sourced from PubChem (CID 125485703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).