N-[[4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]phenyl]methyl]prop-2-en-1-amine

C19H17FN2S — CID 5270991

IUPACN-[[4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]phenyl]methyl]prop-2-en-1-amine
SMILESC=CCNCc1ccc(-c2csc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C19H17FN2S/c1-2-11-21-12-14-3-5-15(6-4-14)18-13-23-19(22-18)16-7-9-17(20)10-8-16/h2-10,13,21H,1,11-12H2
InChIKeyYJEHIHKDIZKRAR-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.89
Rot. Bonds6

About N-[[4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]phenyl]methyl]prop-2-en-1-amine

N-[[4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]phenyl]methyl]prop-2-en-1-amine (PubChem CID 5270991) has the molecular formula C19H17FN2S and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[[4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]phenyl]methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[[4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]phenyl]methyl]prop-2-en-1-amine
PubChem CID5270991
Molecular FormulaC19H17FN2S
Molecular Weight324.42 g/mol
Exact Mass324.11
IUPAC NameN-[[4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]phenyl]methyl]prop-2-en-1-amine
SMILESC=CCNCc1ccc(-c2csc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C19H17FN2S/c1-2-11-21-12-14-3-5-15(6-4-14)18-13-23-19(22-18)16-7-9-17(20)10-8-16/h2-10,13,21H,1,11-12H2
InChIKeyYJEHIHKDIZKRAR-UHFFFAOYSA-N
XLogP4.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
CID 108761184
N'-(4-fluorophenyl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butanediamide
CID 108762347
5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-prop-2-enoxyaniline
CID 82152301
4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoic acid
CID 1483707
1-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-prop-2-enylthiourea
CID 108784177
2,4-difluoro-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide
CID 108739729
2-N-[(4-fluorophenyl)methyl]-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112933264
2-bromo-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]prop-2-en-1-amine
CID 115614858
2-chloro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]prop-2-en-1-amine
CID 113238370
4-(4-fluorophenyl)-2-pyridin-3-yl-1,3-thiazole
CID 592589
4-fluoro-N-[4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 4224045
2-(4-fluorophenyl)-4-[4-[2-(2-methylphenyl)ethenyl]phenyl]-1,3-thiazole
CID 175156571

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]phenyl]methyl]prop-2-en-1-amine?
The IUPAC name of N-[[4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]phenyl]methyl]prop-2-en-1-amine (CID 5270991) is N-[[4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]phenyl]methyl]prop-2-en-1-amine.
What is the SMILES notation for N-[[4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]phenyl]methyl]prop-2-en-1-amine?
The canonical SMILES for N-[[4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]phenyl]methyl]prop-2-en-1-amine is C=CCNCc1ccc(-c2csc(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of N-[[4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]phenyl]methyl]prop-2-en-1-amine?
The InChIKey is YJEHIHKDIZKRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2S/c1-2-11-21-12-14-3-5-15(6-4-14)18-13-23-19(22-18)16-7-9-17(20)10-8-16/h2-10,13,21H,1,11-12H2.
What are the key properties of N-[[4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]phenyl]methyl]prop-2-en-1-amine?
N-[[4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]phenyl]methyl]prop-2-en-1-amine has a molecular weight of 324.42 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]phenyl]methyl]prop-2-en-1-amine is sourced from PubChem (CID 5270991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).