4-(2-fluorophenyl)-3-(2-phenylpropylideneamino)-N-propan-2-yl-1,3-thiazol-2-imine

C21H22FN3S — CID 23797227

IUPAC4-(2-fluorophenyl)-3-(2-phenylpropylideneamino)-N-propan-2-yl-1,3-thiazol-2-imine
SMILESCC(C)/N=c1\scc(-c2ccccc2F)n1N=CC(C)c1ccccc1
InChIInChI=1S/C21H22FN3S/c1-15(2)24-21-25(23-13-16(3)17-9-5-4-6-10-17)20(14-26-21)18-11-7-8-12-19(18)22/h4-16H,1-3H3/b23-13?,24-21-
InChIKeyHQKAKTTZXNZRTQ-HKQCODESSA-N
MW367.49 g/mol
LogP5.30
Rot. Bonds5

About 4-(2-fluorophenyl)-3-(2-phenylpropylideneamino)-N-propan-2-yl-1,3-thiazol-2-imine

4-(2-fluorophenyl)-3-(2-phenylpropylideneamino)-N-propan-2-yl-1,3-thiazol-2-imine (PubChem CID 23797227) has the molecular formula C21H22FN3S and a molecular weight of 367.49 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-3-(2-phenylpropylideneamino)-N-propan-2-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(2-fluorophenyl)-3-(2-phenylpropylideneamino)-N-propan-2-yl-1,3-thiazol-2-imine
PubChem CID23797227
Molecular FormulaC21H22FN3S
Molecular Weight367.49 g/mol
Exact Mass367.15
IUPAC Name4-(2-fluorophenyl)-3-(2-phenylpropylideneamino)-N-propan-2-yl-1,3-thiazol-2-imine
SMILESCC(C)/N=c1\scc(-c2ccccc2F)n1N=CC(C)c1ccccc1
InChIInChI=1S/C21H22FN3S/c1-15(2)24-21-25(23-13-16(3)17-9-5-4-6-10-17)20(14-26-21)18-11-7-8-12-19(18)22/h4-16H,1-3H3/b23-13?,24-21-
InChIKeyHQKAKTTZXNZRTQ-HKQCODESSA-N
XLogP5.30
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.49
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2-fluorophenyl)-3-(2-phenylpropylideneamino)-N-propan-2-yl-1,3-thiazol-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2,6-difluorophenyl)methylideneamino]-4-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-imine
CID 45115437
(E)-4-(2-bromophenyl)-N-propan-2-yl-3-[(E)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-imine
CID 6905400
3-(benzylideneamino)-4-(2-fluorophenyl)-N-prop-2-enyl-1,3-thiazol-2-imine
CID 23911393
(Z)-4-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-3-[(Z)-[(2R)-2-phenylpropylidene]amino]-1,3-thiazol-2-imine
CID 8003103
4-(2-fluorophenyl)-N,3-dimethyl-1,3-thiazol-2-imine
CID 2438099
3-(cyclohexylmethylideneamino)-N-ethyl-4-(2-fluorophenyl)-1,3-thiazol-2-imine
CID 23960373
3-[(4-phenyl-2-propan-2-ylimino-1,3-thiazol-3-yl)iminomethyl]benzene-1,2-diol
CID 135776272
4-[[2-benzylimino-4-(2-fluorophenyl)-1,3-thiazol-3-yl]iminomethyl]benzene-1,3-diol
CID 135823393
3-(2,2-diphenylethylideneamino)-4-(2-methoxyphenyl)-N-prop-2-enyl-1,3-thiazol-2-imine
CID 23734721
2-bromo-4-[[4-(2-bromophenyl)-2-propan-2-ylimino-1,3-thiazol-3-yl]iminomethyl]-6-methoxyphenol
CID 135556508
(Z)-N-ethyl-4-(2-fluorophenyl)-3-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 7974902
4-[[4-(2,4-dichlorophenyl)-2-propan-2-ylimino-1,3-thiazol-3-yl]iminomethyl]benzene-1,3-diol
CID 135693029

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-3-(2-phenylpropylideneamino)-N-propan-2-yl-1,3-thiazol-2-imine?
The IUPAC name of 4-(2-fluorophenyl)-3-(2-phenylpropylideneamino)-N-propan-2-yl-1,3-thiazol-2-imine (CID 23797227) is 4-(2-fluorophenyl)-3-(2-phenylpropylideneamino)-N-propan-2-yl-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(2-fluorophenyl)-3-(2-phenylpropylideneamino)-N-propan-2-yl-1,3-thiazol-2-imine?
The canonical SMILES for 4-(2-fluorophenyl)-3-(2-phenylpropylideneamino)-N-propan-2-yl-1,3-thiazol-2-imine is CC(C)/N=c1\scc(-c2ccccc2F)n1N=CC(C)c1ccccc1.
What is the InChIKey of 4-(2-fluorophenyl)-3-(2-phenylpropylideneamino)-N-propan-2-yl-1,3-thiazol-2-imine?
The InChIKey is HQKAKTTZXNZRTQ-HKQCODESSA-N. The full InChI is InChI=1S/C21H22FN3S/c1-15(2)24-21-25(23-13-16(3)17-9-5-4-6-10-17)20(14-26-21)18-11-7-8-12-19(18)22/h4-16H,1-3H3/b23-13?,24-21-.
What are the key properties of 4-(2-fluorophenyl)-3-(2-phenylpropylideneamino)-N-propan-2-yl-1,3-thiazol-2-imine?
4-(2-fluorophenyl)-3-(2-phenylpropylideneamino)-N-propan-2-yl-1,3-thiazol-2-imine has a molecular weight of 367.49 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-3-(2-phenylpropylideneamino)-N-propan-2-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 23797227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).