3-[[4-(difluoromethoxy)phenyl]methylideneamino]-N-prop-2-enyl-4-thiophen-2-yl-1,3-thiazol-2-imine

C18H15F2N3OS2 — CID 2361382

IUPAC3-[[4-(difluoromethoxy)phenyl]methylideneamino]-N-prop-2-enyl-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESC=CC/N=c1\scc(-c2cccs2)n1N=Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H15F2N3OS2/c1-2-9-21-18-23(15(12-26-18)16-4-3-10-25-16)22-11-13-5-7-14(8-6-13)24-17(19)20/h2-8,10-12,17H,1,9H2/b21-18-,22-11?
InChIKeyXWHWLNTUJZQTIH-AJQLFNJHSA-N
MW391.47 g/mol
LogP4.85
Rot. Bonds7

About 3-[[4-(difluoromethoxy)phenyl]methylideneamino]-N-prop-2-enyl-4-thiophen-2-yl-1,3-thiazol-2-imine

3-[[4-(difluoromethoxy)phenyl]methylideneamino]-N-prop-2-enyl-4-thiophen-2-yl-1,3-thiazol-2-imine (PubChem CID 2361382) has the molecular formula C18H15F2N3OS2 and a molecular weight of 391.47 g/mol. Its IUPAC name is 3-[[4-(difluoromethoxy)phenyl]methylideneamino]-N-prop-2-enyl-4-thiophen-2-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-[[4-(difluoromethoxy)phenyl]methylideneamino]-N-prop-2-enyl-4-thiophen-2-yl-1,3-thiazol-2-imine
PubChem CID2361382
Molecular FormulaC18H15F2N3OS2
Molecular Weight391.47 g/mol
Exact Mass391.06
IUPAC Name3-[[4-(difluoromethoxy)phenyl]methylideneamino]-N-prop-2-enyl-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESC=CC/N=c1\scc(-c2cccs2)n1N=Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H15F2N3OS2/c1-2-9-21-18-23(15(12-26-18)16-4-3-10-25-16)22-11-13-5-7-14(8-6-13)24-17(19)20/h2-8,10-12,17H,1,9H2/b21-18-,22-11?
InChIKeyXWHWLNTUJZQTIH-AJQLFNJHSA-N
XLogP4.85
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-[4-(difluoromethoxy)phenyl]-N-methyl-3-[(E)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-imine
CID 6903740
(6E)-6-[[(2-ethylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)amino]methylidene]-4-methoxycyclohexa-2,4-dien-1-one
CID 135401267
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-[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-(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
(E)-4-[4-(difluoromethoxy)phenyl]-3-[(E)-(2-fluorophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine
CID 6902626
(E)-4-[4-(difluoromethoxy)phenyl]-3-[(E)-(4-fluorophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine
CID 6903461
(E)-4-[4-(difluoromethoxy)phenyl]-3-[(E)-(4-fluorophenyl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine
CID 6903469
(E)-4-[4-(difluoromethoxy)phenyl]-N-prop-2-enyl-3-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine
CID 6904099

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(difluoromethoxy)phenyl]methylideneamino]-N-prop-2-enyl-4-thiophen-2-yl-1,3-thiazol-2-imine?
The IUPAC name of 3-[[4-(difluoromethoxy)phenyl]methylideneamino]-N-prop-2-enyl-4-thiophen-2-yl-1,3-thiazol-2-imine (CID 2361382) is 3-[[4-(difluoromethoxy)phenyl]methylideneamino]-N-prop-2-enyl-4-thiophen-2-yl-1,3-thiazol-2-imine.
What is the SMILES notation for 3-[[4-(difluoromethoxy)phenyl]methylideneamino]-N-prop-2-enyl-4-thiophen-2-yl-1,3-thiazol-2-imine?
The canonical SMILES for 3-[[4-(difluoromethoxy)phenyl]methylideneamino]-N-prop-2-enyl-4-thiophen-2-yl-1,3-thiazol-2-imine is C=CC/N=c1\scc(-c2cccs2)n1N=Cc1ccc(OC(F)F)cc1.
What is the InChIKey of 3-[[4-(difluoromethoxy)phenyl]methylideneamino]-N-prop-2-enyl-4-thiophen-2-yl-1,3-thiazol-2-imine?
The InChIKey is XWHWLNTUJZQTIH-AJQLFNJHSA-N. The full InChI is InChI=1S/C18H15F2N3OS2/c1-2-9-21-18-23(15(12-26-18)16-4-3-10-25-16)22-11-13-5-7-14(8-6-13)24-17(19)20/h2-8,10-12,17H,1,9H2/b21-18-,22-11?.
What are the key properties of 3-[[4-(difluoromethoxy)phenyl]methylideneamino]-N-prop-2-enyl-4-thiophen-2-yl-1,3-thiazol-2-imine?
3-[[4-(difluoromethoxy)phenyl]methylideneamino]-N-prop-2-enyl-4-thiophen-2-yl-1,3-thiazol-2-imine has a molecular weight of 391.47 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(difluoromethoxy)phenyl]methylideneamino]-N-prop-2-enyl-4-thiophen-2-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 2361382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).