4-(3-chlorophenyl)-3-[(3,4-difluorophenyl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine

C19H14ClF2N3S — CID 23876645

IUPAC4-(3-chlorophenyl)-3-[(3,4-difluorophenyl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine
SMILESC=CC/N=c1\scc(-c2cccc(Cl)c2)n1N=Cc1ccc(F)c(F)c1
InChIInChI=1S/C19H14ClF2N3S/c1-2-8-23-19-25(24-11-13-6-7-16(21)17(22)9-13)18(12-26-19)14-4-3-5-15(20)10-14/h2-7,9-12H,1,8H2/b23-19-,24-11?
InChIKeyPJVLVLLFGHRVJU-JVITWNBDSA-N
MW389.86 g/mol
LogP5.12
Rot. Bonds5

About 4-(3-chlorophenyl)-3-[(3,4-difluorophenyl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine

4-(3-chlorophenyl)-3-[(3,4-difluorophenyl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine (PubChem CID 23876645) has the molecular formula C19H14ClF2N3S and a molecular weight of 389.86 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-3-[(3,4-difluorophenyl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-3-[(3,4-difluorophenyl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine
PubChem CID23876645
Molecular FormulaC19H14ClF2N3S
Molecular Weight389.86 g/mol
Exact Mass389.06
IUPAC Name4-(3-chlorophenyl)-3-[(3,4-difluorophenyl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine
SMILESC=CC/N=c1\scc(-c2cccc(Cl)c2)n1N=Cc1ccc(F)c(F)c1
InChIInChI=1S/C19H14ClF2N3S/c1-2-8-23-19-25(24-11-13-6-7-16(21)17(22)9-13)18(12-26-19)14-4-3-5-15(20)10-14/h2-7,9-12H,1,8H2/b23-19-,24-11?
InChIKeyPJVLVLLFGHRVJU-JVITWNBDSA-N
XLogP5.12
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.86
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

4-[[4-(4-chlorophenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]iminomethyl]benzonitrile
CID 23963868
4-(3,4-dimethylphenyl)-3-[(4-fluorophenyl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine
CID 23909173
3-(benzylideneamino)-4-(2-fluorophenyl)-N-prop-2-enyl-1,3-thiazol-2-imine
CID 23911393
4-(3-bromophenyl)-N-prop-2-enyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23769321
4-(3,4-dichlorophenyl)-N-prop-2-enyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23882854
4-[[4-(4-fluorophenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135813515
4-(4-fluorophenyl)-3-[(4-methylsulfanylphenyl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine
CID 2401260
(E)-4-[4-(difluoromethoxy)phenyl]-3-[(E)-(4-fluorophenyl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine
CID 6903469
2,6-dimethoxy-4-[(4-phenyl-2-prop-2-enylimino-1,3-thiazol-3-yl)iminomethyl]phenol
CID 135839028
4-(3,4-dimethylphenyl)-N-prop-2-enyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23852781
4-(2,4-dichlorophenyl)-N-prop-2-enyl-3-[(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 23852726
(Z)-N-ethyl-3-[(Z)-(3-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-imine
CID 7974865

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-3-[(3,4-difluorophenyl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine?
The IUPAC name of 4-(3-chlorophenyl)-3-[(3,4-difluorophenyl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine (CID 23876645) is 4-(3-chlorophenyl)-3-[(3,4-difluorophenyl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(3-chlorophenyl)-3-[(3,4-difluorophenyl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine?
The canonical SMILES for 4-(3-chlorophenyl)-3-[(3,4-difluorophenyl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine is C=CC/N=c1\scc(-c2cccc(Cl)c2)n1N=Cc1ccc(F)c(F)c1.
What is the InChIKey of 4-(3-chlorophenyl)-3-[(3,4-difluorophenyl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine?
The InChIKey is PJVLVLLFGHRVJU-JVITWNBDSA-N. The full InChI is InChI=1S/C19H14ClF2N3S/c1-2-8-23-19-25(24-11-13-6-7-16(21)17(22)9-13)18(12-26-19)14-4-3-5-15(20)10-14/h2-7,9-12H,1,8H2/b23-19-,24-11?.
What are the key properties of 4-(3-chlorophenyl)-3-[(3,4-difluorophenyl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine?
4-(3-chlorophenyl)-3-[(3,4-difluorophenyl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine has a molecular weight of 389.86 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-3-[(3,4-difluorophenyl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine is sourced from PubChem (CID 23876645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).