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

C21H18ClFN2S — CID 139232312

IUPACN-(4-chlorophenyl)-4-cyclopropyl-5-(2-fluorophenyl)-3-prop-2-enyl-1,3-thiazol-2-imine
SMILESC=CCn1c(C2CC2)c(-c2ccccc2F)s/c1=N\c1ccc(Cl)cc1
InChIInChI=1S/C21H18ClFN2S/c1-2-13-25-19(14-7-8-14)20(17-5-3-4-6-18(17)23)26-21(25)24-16-11-9-15(22)10-12-16/h2-6,9-12,14H,1,7-8,13H2/b24-21-
InChIKeyJTNNBXNQFFEGGL-FLFQWRMESA-N
MW384.91 g/mol
LogP6.30
Rot. Bonds5

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

N-(4-chlorophenyl)-4-cyclopropyl-5-(2-fluorophenyl)-3-prop-2-enyl-1,3-thiazol-2-imine (PubChem CID 139232312) has the molecular formula C21H18ClFN2S and a molecular weight of 384.91 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-cyclopropyl-5-(2-fluorophenyl)-3-prop-2-enyl-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-cyclopropyl-5-(2-fluorophenyl)-3-prop-2-enyl-1,3-thiazol-2-imine
PubChem CID139232312
Molecular FormulaC21H18ClFN2S
Molecular Weight384.91 g/mol
Exact Mass384.09
IUPAC NameN-(4-chlorophenyl)-4-cyclopropyl-5-(2-fluorophenyl)-3-prop-2-enyl-1,3-thiazol-2-imine
SMILESC=CCn1c(C2CC2)c(-c2ccccc2F)s/c1=N\c1ccc(Cl)cc1
InChIInChI=1S/C21H18ClFN2S/c1-2-13-25-19(14-7-8-14)20(17-5-3-4-6-18(17)23)26-21(25)24-16-11-9-15(22)10-12-16/h2-6,9-12,14H,1,7-8,13H2/b24-21-
InChIKeyJTNNBXNQFFEGGL-FLFQWRMESA-N
XLogP6.30
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.91
LogP ≤ 56.30
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

3-[(2Z)-2-[(4-chlorophenyl)imino]-4-(4-fluorophenyl)-1,3-thiazol-3(2H)-yl]propan-1-ol
CID 1821636
{3-[4-(4-Chlorophenyl)-2-(phenylazamethylene)(1,3-thiazolin-3-yl)]propyl}dimet hylamine
CID 1279760
2-[(4-Chlorophenyl)azamethylene]-5-methyl-4-phenyl-3-prop-2-enyl-1,3-thiazolin e
CID 4478571
(Z)-4-(4-Chlorophenyl)-3-ethyl-N-phenylthiazol-2(3H)-imine
CID 693919
N-(4-(4-Chlorophenyl)-3-pentyl-1,3-thiazol-2(3H)-ylidene)aniline
CID 3502339
4-cyclopropyl-5-(2-fluorophenyl)-N-(4-methylphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine
CID 139232307
4-cyclopropyl-N-(4-ethylphenyl)-5-(2-fluorophenyl)-3-prop-2-enyl-1,3-thiazol-2-imine
CID 139232308
4-cyclopropyl-3-ethyl-N-(4-ethylphenyl)-5-(2-fluorophenyl)-1,3-thiazol-2-imine
CID 139232315
N-(3-chloro-4-methylphenyl)-3-cyclopropyl-4-(2-fluorophenyl)-1,3-thiazol-2-imine
CID 3999166
3-benzylsulfanyl-N-(4-chlorophenyl)-2-methyl-1,2,4-thiadiazol-5-imine
CID 13517337
N-(4-chlorophenyl)-5-methyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine
CID 76319643
4-(4-chlorophenyl)-3-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine;hydrobromide
CID 90484844

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-cyclopropyl-5-(2-fluorophenyl)-3-prop-2-enyl-1,3-thiazol-2-imine?
The IUPAC name of N-(4-chlorophenyl)-4-cyclopropyl-5-(2-fluorophenyl)-3-prop-2-enyl-1,3-thiazol-2-imine (CID 139232312) is N-(4-chlorophenyl)-4-cyclopropyl-5-(2-fluorophenyl)-3-prop-2-enyl-1,3-thiazol-2-imine.
What is the SMILES notation for N-(4-chlorophenyl)-4-cyclopropyl-5-(2-fluorophenyl)-3-prop-2-enyl-1,3-thiazol-2-imine?
The canonical SMILES for N-(4-chlorophenyl)-4-cyclopropyl-5-(2-fluorophenyl)-3-prop-2-enyl-1,3-thiazol-2-imine is C=CCn1c(C2CC2)c(-c2ccccc2F)s/c1=N\c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-cyclopropyl-5-(2-fluorophenyl)-3-prop-2-enyl-1,3-thiazol-2-imine?
The InChIKey is JTNNBXNQFFEGGL-FLFQWRMESA-N. The full InChI is InChI=1S/C21H18ClFN2S/c1-2-13-25-19(14-7-8-14)20(17-5-3-4-6-18(17)23)26-21(25)24-16-11-9-15(22)10-12-16/h2-6,9-12,14H,1,7-8,13H2/b24-21-.
What are the key properties of N-(4-chlorophenyl)-4-cyclopropyl-5-(2-fluorophenyl)-3-prop-2-enyl-1,3-thiazol-2-imine?
N-(4-chlorophenyl)-4-cyclopropyl-5-(2-fluorophenyl)-3-prop-2-enyl-1,3-thiazol-2-imine has a molecular weight of 384.91 g/mol, XLogP of 6.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-cyclopropyl-5-(2-fluorophenyl)-3-prop-2-enyl-1,3-thiazol-2-imine is sourced from PubChem (CID 139232312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).