(E)-4-[4-(difluoromethoxy)phenyl]-3-[(E)-(5-methylfuran-2-yl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine

C19H17F2N3O2S — CID 6906090

IUPAC(E)-4-[4-(difluoromethoxy)phenyl]-3-[(E)-(5-methylfuran-2-yl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine
SMILESC=CC/N=c1\scc(-c2ccc(OC(F)F)cc2)n1/N=C/c1ccc(C)o1
InChIInChI=1S/C19H17F2N3O2S/c1-3-10-22-19-24(23-11-16-7-4-13(2)25-16)17(12-27-19)14-5-8-15(9-6-14)26-18(20)21/h3-9,11-12,18H,1,10H2,2H3/b22-19-,23-11+
InChIKeyUDOPGDMBFOCMKR-QYABOWSRSA-N
MW389.43 g/mol
LogP4.69
Rot. Bonds7

About (E)-4-[4-(difluoromethoxy)phenyl]-3-[(E)-(5-methylfuran-2-yl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine

(E)-4-[4-(difluoromethoxy)phenyl]-3-[(E)-(5-methylfuran-2-yl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine (PubChem CID 6906090) has the molecular formula C19H17F2N3O2S and a molecular weight of 389.43 g/mol. Its IUPAC name is (E)-4-[4-(difluoromethoxy)phenyl]-3-[(E)-(5-methylfuran-2-yl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name(E)-4-[4-(difluoromethoxy)phenyl]-3-[(E)-(5-methylfuran-2-yl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine
PubChem CID6906090
Molecular FormulaC19H17F2N3O2S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC Name(E)-4-[4-(difluoromethoxy)phenyl]-3-[(E)-(5-methylfuran-2-yl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine
SMILESC=CC/N=c1\scc(-c2ccc(OC(F)F)cc2)n1/N=C/c1ccc(C)o1
InChIInChI=1S/C19H17F2N3O2S/c1-3-10-22-19-24(23-11-16-7-4-13(2)25-16)17(12-27-19)14-5-8-15(9-6-14)26-18(20)21/h3-9,11-12,18H,1,10H2,2H3/b22-19-,23-11+
InChIKeyUDOPGDMBFOCMKR-QYABOWSRSA-N
XLogP4.69
TPSA52.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.69
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)-N-(furan-2-ylmethylene)-2-imino-4-phenylthiazol-3(2H)-amine hydrobromide
CID 18552806
4-[(E)-[2-ethylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135512415
(E)-3-[(E)-(5-methylfuran-2-yl)methylideneamino]-N-(oxolan-2-ylmethyl)-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine
CID 9659944
(E)-N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-4-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine
CID 90675496
(E)-4-(2-fluorophenyl)-3-[(E)-furan-2-ylmethylideneamino]-N-(2-methoxyethyl)-1,3-thiazol-2-imine
CID 6902668
(E)-4-(4-fluorophenyl)-N-methyl-3-[(E)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-imine
CID 6903079
(E)-N-ethyl-4-(furan-2-yl)-3-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine
CID 6906229
N-[5-(4-ethoxyphenyl)-6-methyl-4H-1,3,4-thiadiazin-2-yl]-1-(furan-2-yl)methanimine
CID 5008744
(E)-4-(furan-2-yl)-3-[(E)-furan-2-ylmethylideneamino]-N-(2-phenylethyl)-1,3-thiazol-2-imine
CID 6902640
(E)-4-(2,5-dimethoxyphenyl)-3-[(E)-furan-2-ylmethylideneamino]-N-methyl-1,3-thiazol-2-imine
CID 6904880
methyl 4-[(E)-[4-(furan-2-yl)-2-prop-2-enylimino-1,3-thiazol-3-yl]iminomethyl]benzoate
CID 6905509
(E)-4-(furan-2-yl)-N-(2-methoxyethyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 6905581

Frequently Asked Questions

What is the IUPAC name of (E)-4-[4-(difluoromethoxy)phenyl]-3-[(E)-(5-methylfuran-2-yl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine?
The IUPAC name of (E)-4-[4-(difluoromethoxy)phenyl]-3-[(E)-(5-methylfuran-2-yl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine (CID 6906090) is (E)-4-[4-(difluoromethoxy)phenyl]-3-[(E)-(5-methylfuran-2-yl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine.
What is the SMILES notation for (E)-4-[4-(difluoromethoxy)phenyl]-3-[(E)-(5-methylfuran-2-yl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine?
The canonical SMILES for (E)-4-[4-(difluoromethoxy)phenyl]-3-[(E)-(5-methylfuran-2-yl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine is C=CC/N=c1\scc(-c2ccc(OC(F)F)cc2)n1/N=C/c1ccc(C)o1.
What is the InChIKey of (E)-4-[4-(difluoromethoxy)phenyl]-3-[(E)-(5-methylfuran-2-yl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine?
The InChIKey is UDOPGDMBFOCMKR-QYABOWSRSA-N. The full InChI is InChI=1S/C19H17F2N3O2S/c1-3-10-22-19-24(23-11-16-7-4-13(2)25-16)17(12-27-19)14-5-8-15(9-6-14)26-18(20)21/h3-9,11-12,18H,1,10H2,2H3/b22-19-,23-11+.
What are the key properties of (E)-4-[4-(difluoromethoxy)phenyl]-3-[(E)-(5-methylfuran-2-yl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine?
(E)-4-[4-(difluoromethoxy)phenyl]-3-[(E)-(5-methylfuran-2-yl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine has a molecular weight of 389.43 g/mol, XLogP of 4.69, 7 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]-3-[(E)-(5-methylfuran-2-yl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine is sourced from PubChem (CID 6906090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).