4-[4-(difluoromethoxy)phenyl]-N-ethyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine

C17H15F2N3OS2 — CID 2365148

IUPAC4-[4-(difluoromethoxy)phenyl]-N-ethyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2ccc(OC(F)F)cc2)n1N=Cc1ccsc1
InChIInChI=1S/C17H15F2N3OS2/c1-2-20-17-22(21-9-12-7-8-24-10-12)15(11-25-17)13-3-5-14(6-4-13)23-16(18)19/h3-11,16H,2H2,1H3/b20-17-,21-9?
InChIKeyMVOATRBVCFEZJD-YQVZUPQZSA-N
MW379.46 g/mol
LogP4.68
Rot. Bonds6

About 4-[4-(difluoromethoxy)phenyl]-N-ethyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine

4-[4-(difluoromethoxy)phenyl]-N-ethyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine (PubChem CID 2365148) has the molecular formula C17H15F2N3OS2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-[4-(difluoromethoxy)phenyl]-N-ethyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-[4-(difluoromethoxy)phenyl]-N-ethyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine
PubChem CID2365148
Molecular FormulaC17H15F2N3OS2
Molecular Weight379.46 g/mol
Exact Mass379.06
IUPAC Name4-[4-(difluoromethoxy)phenyl]-N-ethyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2ccc(OC(F)F)cc2)n1N=Cc1ccsc1
InChIInChI=1S/C17H15F2N3OS2/c1-2-20-17-22(21-9-12-7-8-24-10-12)15(11-25-17)13-3-5-14(6-4-13)23-16(18)19/h3-11,16H,2H2,1H3/b20-17-,21-9?
InChIKeyMVOATRBVCFEZJD-YQVZUPQZSA-N
XLogP4.68
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 4-[4-(difluoromethoxy)phenyl]-N-ethyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine?
The IUPAC name of 4-[4-(difluoromethoxy)phenyl]-N-ethyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine (CID 2365148) is 4-[4-(difluoromethoxy)phenyl]-N-ethyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine.
What is the SMILES notation for 4-[4-(difluoromethoxy)phenyl]-N-ethyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine?
The canonical SMILES for 4-[4-(difluoromethoxy)phenyl]-N-ethyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine is CC/N=c1\scc(-c2ccc(OC(F)F)cc2)n1N=Cc1ccsc1.
What is the InChIKey of 4-[4-(difluoromethoxy)phenyl]-N-ethyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine?
The InChIKey is MVOATRBVCFEZJD-YQVZUPQZSA-N. The full InChI is InChI=1S/C17H15F2N3OS2/c1-2-20-17-22(21-9-12-7-8-24-10-12)15(11-25-17)13-3-5-14(6-4-13)23-16(18)19/h3-11,16H,2H2,1H3/b20-17-,21-9?.
What are the key properties of 4-[4-(difluoromethoxy)phenyl]-N-ethyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine?
4-[4-(difluoromethoxy)phenyl]-N-ethyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine has a molecular weight of 379.46 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethoxy)phenyl]-N-ethyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine is sourced from PubChem (CID 2365148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).