4-(4-methoxyphenyl)-N,3,5-trimethyl-1,3-thiazol-2-imine

C13H16N2OS — CID 31060825

IUPAC4-(4-methoxyphenyl)-N,3,5-trimethyl-1,3-thiazol-2-imine
SMILESC/N=c1\sc(C)c(-c2ccc(OC)cc2)n1C
InChIInChI=1S/C13H16N2OS/c1-9-12(15(3)13(14-2)17-9)10-5-7-11(16-4)8-6-10/h5-8H,1-4H3/b14-13-
InChIKeyNDLRBVDEOJCWRT-YPKPFQOOSA-N
MW248.35 g/mol
LogP2.60
Rot. Bonds2

About 4-(4-methoxyphenyl)-N,3,5-trimethyl-1,3-thiazol-2-imine

4-(4-methoxyphenyl)-N,3,5-trimethyl-1,3-thiazol-2-imine (PubChem CID 31060825) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N,3,5-trimethyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N,3,5-trimethyl-1,3-thiazol-2-imine
PubChem CID31060825
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name4-(4-methoxyphenyl)-N,3,5-trimethyl-1,3-thiazol-2-imine
SMILESC/N=c1\sc(C)c(-c2ccc(OC)cc2)n1C
InChIInChI=1S/C13H16N2OS/c1-9-12(15(3)13(14-2)17-9)10-5-7-11(16-4)8-6-10/h5-8H,1-4H3/b14-13-
InChIKeyNDLRBVDEOJCWRT-YPKPFQOOSA-N
XLogP2.60
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.60
H-Bond Donors ≤ 50
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-(4-methoxyphenyl)-N,3,5-trimethyl-1,3-thiazol-2-imine?
The IUPAC name of 4-(4-methoxyphenyl)-N,3,5-trimethyl-1,3-thiazol-2-imine (CID 31060825) is 4-(4-methoxyphenyl)-N,3,5-trimethyl-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(4-methoxyphenyl)-N,3,5-trimethyl-1,3-thiazol-2-imine?
The canonical SMILES for 4-(4-methoxyphenyl)-N,3,5-trimethyl-1,3-thiazol-2-imine is C/N=c1\sc(C)c(-c2ccc(OC)cc2)n1C.
What is the InChIKey of 4-(4-methoxyphenyl)-N,3,5-trimethyl-1,3-thiazol-2-imine?
The InChIKey is NDLRBVDEOJCWRT-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-9-12(15(3)13(14-2)17-9)10-5-7-11(16-4)8-6-10/h5-8H,1-4H3/b14-13-.
What are the key properties of 4-(4-methoxyphenyl)-N,3,5-trimethyl-1,3-thiazol-2-imine?
4-(4-methoxyphenyl)-N,3,5-trimethyl-1,3-thiazol-2-imine has a molecular weight of 248.35 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N,3,5-trimethyl-1,3-thiazol-2-imine is sourced from PubChem (CID 31060825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).