N-ethyl-3-[1-(4-fluorophenyl)propylideneamino]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine

C23H26FN3O3S — CID 23850532

IUPACN-ethyl-3-[1-(4-fluorophenyl)propylideneamino]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2cc(OC)c(OC)c(OC)c2)n1N=C(CC)c1ccc(F)cc1
InChIInChI=1S/C23H26FN3O3S/c1-6-18(15-8-10-17(24)11-9-15)26-27-19(14-31-23(27)25-7-2)16-12-20(28-3)22(30-5)21(13-16)29-4/h8-14H,6-7H2,1-5H3/b25-23-,26-18?
InChIKeyRPXVIJNBXDAPJZ-KLAFABQSSA-N
MW443.54 g/mol
LogP4.96
Rot. Bonds8

About N-ethyl-3-[1-(4-fluorophenyl)propylideneamino]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine

N-ethyl-3-[1-(4-fluorophenyl)propylideneamino]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine (PubChem CID 23850532) has the molecular formula C23H26FN3O3S and a molecular weight of 443.54 g/mol. Its IUPAC name is N-ethyl-3-[1-(4-fluorophenyl)propylideneamino]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-ethyl-3-[1-(4-fluorophenyl)propylideneamino]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
PubChem CID23850532
Molecular FormulaC23H26FN3O3S
Molecular Weight443.54 g/mol
Exact Mass443.17
IUPAC NameN-ethyl-3-[1-(4-fluorophenyl)propylideneamino]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2cc(OC)c(OC)c(OC)c2)n1N=C(CC)c1ccc(F)cc1
InChIInChI=1S/C23H26FN3O3S/c1-6-18(15-8-10-17(24)11-9-15)26-27-19(14-31-23(27)25-7-2)16-12-20(28-3)22(30-5)21(13-16)29-4/h8-14H,6-7H2,1-5H3/b25-23-,26-18?
InChIKeyRPXVIJNBXDAPJZ-KLAFABQSSA-N
XLogP4.96
TPSA57.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.54
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 N-ethyl-3-[1-(4-fluorophenyl)propylideneamino]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine?
The IUPAC name of N-ethyl-3-[1-(4-fluorophenyl)propylideneamino]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine (CID 23850532) is N-ethyl-3-[1-(4-fluorophenyl)propylideneamino]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for N-ethyl-3-[1-(4-fluorophenyl)propylideneamino]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine?
The canonical SMILES for N-ethyl-3-[1-(4-fluorophenyl)propylideneamino]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine is CC/N=c1\scc(-c2cc(OC)c(OC)c(OC)c2)n1N=C(CC)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-3-[1-(4-fluorophenyl)propylideneamino]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine?
The InChIKey is RPXVIJNBXDAPJZ-KLAFABQSSA-N. The full InChI is InChI=1S/C23H26FN3O3S/c1-6-18(15-8-10-17(24)11-9-15)26-27-19(14-31-23(27)25-7-2)16-12-20(28-3)22(30-5)21(13-16)29-4/h8-14H,6-7H2,1-5H3/b25-23-,26-18?.
What are the key properties of N-ethyl-3-[1-(4-fluorophenyl)propylideneamino]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine?
N-ethyl-3-[1-(4-fluorophenyl)propylideneamino]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine has a molecular weight of 443.54 g/mol, XLogP of 4.96, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[1-(4-fluorophenyl)propylideneamino]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 23850532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).