4-cyclopropyl-5-(2-fluorophenyl)-N-(4-methylphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine

C22H21FN2S — CID 139232307

IUPAC4-cyclopropyl-5-(2-fluorophenyl)-N-(4-methylphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine
SMILESC=CCn1c(C2CC2)c(-c2ccccc2F)s/c1=N\c1ccc(C)cc1
InChIInChI=1S/C22H21FN2S/c1-3-14-25-20(16-10-11-16)21(18-6-4-5-7-19(18)23)26-22(25)24-17-12-8-15(2)9-13-17/h3-9,12-13,16H,1,10-11,14H2,2H3/b24-22-
InChIKeyTVIXRVYRWUPHDS-GYHWCHFESA-N
MW364.49 g/mol
LogP5.96
Rot. Bonds5

About 4-cyclopropyl-5-(2-fluorophenyl)-N-(4-methylphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine

4-cyclopropyl-5-(2-fluorophenyl)-N-(4-methylphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine (PubChem CID 139232307) has the molecular formula C22H21FN2S and a molecular weight of 364.49 g/mol. Its IUPAC name is 4-cyclopropyl-5-(2-fluorophenyl)-N-(4-methylphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-cyclopropyl-5-(2-fluorophenyl)-N-(4-methylphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine
PubChem CID139232307
Molecular FormulaC22H21FN2S
Molecular Weight364.49 g/mol
Exact Mass364.14
IUPAC Name4-cyclopropyl-5-(2-fluorophenyl)-N-(4-methylphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine
SMILESC=CCn1c(C2CC2)c(-c2ccccc2F)s/c1=N\c1ccc(C)cc1
InChIInChI=1S/C22H21FN2S/c1-3-14-25-20(16-10-11-16)21(18-6-4-5-7-19(18)23)26-22(25)24-17-12-8-15(2)9-13-17/h3-9,12-13,16H,1,10-11,14H2,2H3/b24-22-
InChIKeyTVIXRVYRWUPHDS-GYHWCHFESA-N
XLogP5.96
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylphenyl)-N-(3,4,5-trimethyl-1,3-thiazol-2(3H)-ylidene)amine
CID 823454
Diethyl{2-[4-phenyl-2-(phenylazamethylene)(1,3-thiazolin-3-yl)]ethyl}amine
CID 1537448
N-(2-(3-Benzylthiazolidylidene))aniline
CID 115915
butyl (1Z)-N-[(E)-C-phenyl-N-(p-tolyl)carbonimidoyl]piperidine-1-carboximidothioate
CID 3010780
4-Thiazoline, 4-(4-fluorophenyl)-3-methyl-2-(phenylimino)-
CID 625006
3-(Methylethyl)-4-phenyl-2-(phenylazamethylene)-1,3-thiazoline
CID 716478
3-ethyl-4-(4-fluorophenyl)-N-(4-methylphenyl)-1,3-thiazol-2-imine
CID 1821635
5-(3,4-difluorophenyl)-N,3-diphenyl-1,3-thiazol-2-imine
CID 2800020
N-[(2Z)-3-[3-(dimethylamino)propyl]-4-(4-methylphenyl)-1,3-thiazol-2(3H)-ylidene]aniline
CID 1528694
3-[4,5-Bis[(4-methylphenyl)imino]-2-sulfanylidene-1,3-thiazolidin-3-yl]propyl-trimethylazanium iodide
CID 383240
3-ethyl-4-(4-fluorophenyl)-N-phenyl-1,3-thiazol-2-imine
CID 5245414
(4-methylphenyl) N'-(4-fluorophenyl)-N,N-dimethylcarbamimidothioate
CID 134863886

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-(2-fluorophenyl)-N-(4-methylphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine?
The IUPAC name of 4-cyclopropyl-5-(2-fluorophenyl)-N-(4-methylphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine (CID 139232307) is 4-cyclopropyl-5-(2-fluorophenyl)-N-(4-methylphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine.
What is the SMILES notation for 4-cyclopropyl-5-(2-fluorophenyl)-N-(4-methylphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine?
The canonical SMILES for 4-cyclopropyl-5-(2-fluorophenyl)-N-(4-methylphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine is C=CCn1c(C2CC2)c(-c2ccccc2F)s/c1=N\c1ccc(C)cc1.
What is the InChIKey of 4-cyclopropyl-5-(2-fluorophenyl)-N-(4-methylphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine?
The InChIKey is TVIXRVYRWUPHDS-GYHWCHFESA-N. The full InChI is InChI=1S/C22H21FN2S/c1-3-14-25-20(16-10-11-16)21(18-6-4-5-7-19(18)23)26-22(25)24-17-12-8-15(2)9-13-17/h3-9,12-13,16H,1,10-11,14H2,2H3/b24-22-.
What are the key properties of 4-cyclopropyl-5-(2-fluorophenyl)-N-(4-methylphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine?
4-cyclopropyl-5-(2-fluorophenyl)-N-(4-methylphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine has a molecular weight of 364.49 g/mol, XLogP of 5.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-(2-fluorophenyl)-N-(4-methylphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine is sourced from PubChem (CID 139232307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).