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

C16H13F2N3OS2 — CID 6903740

IUPAC(E)-4-[4-(difluoromethoxy)phenyl]-N-methyl-3-[(E)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccc(OC(F)F)cc2)n1/N=C/c1cccs1
InChIInChI=1S/C16H13F2N3OS2/c1-19-16-21(20-9-13-3-2-8-23-13)14(10-24-16)11-4-6-12(7-5-11)22-15(17)18/h2-10,15H,1H3/b19-16-,20-9+
InChIKeyHMWVJQMPQKPIFO-PNOQPUHPSA-N
MW365.43 g/mol
LogP4.29
Rot. Bonds5

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

(E)-4-[4-(difluoromethoxy)phenyl]-N-methyl-3-[(E)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-imine (PubChem CID 6903740) has the molecular formula C16H13F2N3OS2 and a molecular weight of 365.43 g/mol. Its IUPAC name is (E)-4-[4-(difluoromethoxy)phenyl]-N-methyl-3-[(E)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-imine.

Molecular Properties

Compound Name(E)-4-[4-(difluoromethoxy)phenyl]-N-methyl-3-[(E)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-imine
PubChem CID6903740
Molecular FormulaC16H13F2N3OS2
Molecular Weight365.43 g/mol
Exact Mass365.05
IUPAC Name(E)-4-[4-(difluoromethoxy)phenyl]-N-methyl-3-[(E)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccc(OC(F)F)cc2)n1/N=C/c1cccs1
InChIInChI=1S/C16H13F2N3OS2/c1-19-16-21(20-9-13-3-2-8-23-13)14(10-24-16)11-4-6-12(7-5-11)22-15(17)18/h2-10,15H,1H3/b19-16-,20-9+
InChIKeyHMWVJQMPQKPIFO-PNOQPUHPSA-N
XLogP4.29
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(6E)-6-[[(2-ethylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)amino]methylidene]-4-methoxycyclohexa-2,4-dien-1-one
CID 135401267
(E)-4-[4-(difluoromethoxy)phenyl]-3-[(E)-(2-fluorophenyl)methylideneamino]-N-(2-methoxyethyl)-1,3-thiazol-2-imine
CID 6906077
2-[5-(4-Methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
CID 66488824
(E)-4-(4-methoxyphenyl)-3-prop-2-enyl-N-[(E)-[(E)-3-thiophen-2-ylprop-2-enylidene]amino]-1,3-thiazol-2-imine;hydrobromide
CID 90675457
4-[(E)-[4-[4-(difluoromethoxy)phenyl]-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135691133
4-[4-(difluoromethoxy)phenyl]-N-(2-methoxyethyl)-3-[(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 2455193
4-[4-(difluoromethoxy)phenyl]-3-[(2-fluorophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine
CID 2365554
4-[4-(difluoromethoxy)phenyl]-3-[(4-fluorophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine
CID 2383478
4-[[4-[4-(Difluoromethoxy)phenyl]-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 2390235
4-[4-(difluoromethoxy)phenyl]-3-[(4-fluorophenyl)methylideneamino]-N-(2-methoxyethyl)-1,3-thiazol-2-imine
CID 2457899
4-[4-(difluoromethoxy)phenyl]-3-[(4-methoxyphenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine
CID 2479347
(E)-3-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-(4-methoxyphenyl)-N-prop-2-enyl-1,3-thiazol-2-imine
CID 6902463

Frequently Asked Questions

What is the IUPAC name of (E)-4-[4-(difluoromethoxy)phenyl]-N-methyl-3-[(E)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-imine?
The IUPAC name of (E)-4-[4-(difluoromethoxy)phenyl]-N-methyl-3-[(E)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-imine (CID 6903740) is (E)-4-[4-(difluoromethoxy)phenyl]-N-methyl-3-[(E)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-imine.
What is the SMILES notation for (E)-4-[4-(difluoromethoxy)phenyl]-N-methyl-3-[(E)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-imine?
The canonical SMILES for (E)-4-[4-(difluoromethoxy)phenyl]-N-methyl-3-[(E)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-imine is C/N=c1\scc(-c2ccc(OC(F)F)cc2)n1/N=C/c1cccs1.
What is the InChIKey of (E)-4-[4-(difluoromethoxy)phenyl]-N-methyl-3-[(E)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-imine?
The InChIKey is HMWVJQMPQKPIFO-PNOQPUHPSA-N. The full InChI is InChI=1S/C16H13F2N3OS2/c1-19-16-21(20-9-13-3-2-8-23-13)14(10-24-16)11-4-6-12(7-5-11)22-15(17)18/h2-10,15H,1H3/b19-16-,20-9+.
What are the key properties of (E)-4-[4-(difluoromethoxy)phenyl]-N-methyl-3-[(E)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-imine?
(E)-4-[4-(difluoromethoxy)phenyl]-N-methyl-3-[(E)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-imine has a molecular weight of 365.43 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[4-(difluoromethoxy)phenyl]-N-methyl-3-[(E)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-imine is sourced from PubChem (CID 6903740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).