4-[4-(2-fluorophenyl)phenyl]-5-methyl-N-(2-morpholin-4-ylphenyl)-1,3-thiazol-2-amine

C26H24FN3OS — CID 2741200

IUPAC4-[4-(2-fluorophenyl)phenyl]-5-methyl-N-(2-morpholin-4-ylphenyl)-1,3-thiazol-2-amine
SMILESCc1sc(Nc2ccccc2N2CCOCC2)nc1-c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C26H24FN3OS/c1-18-25(20-12-10-19(11-13-20)21-6-2-3-7-22(21)27)29-26(32-18)28-23-8-4-5-9-24(23)30-14-16-31-17-15-30/h2-13H,14-17H2,1H3,(H,28,29)
InChIKeyBTRRVOYXNOWTFU-UHFFFAOYSA-N
MW445.56 g/mol
LogP6.50
Rot. Bonds5

About 4-[4-(2-fluorophenyl)phenyl]-5-methyl-N-(2-morpholin-4-ylphenyl)-1,3-thiazol-2-amine

4-[4-(2-fluorophenyl)phenyl]-5-methyl-N-(2-morpholin-4-ylphenyl)-1,3-thiazol-2-amine (PubChem CID 2741200) has the molecular formula C26H24FN3OS and a molecular weight of 445.56 g/mol. Its IUPAC name is 4-[4-(2-fluorophenyl)phenyl]-5-methyl-N-(2-morpholin-4-ylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[4-(2-fluorophenyl)phenyl]-5-methyl-N-(2-morpholin-4-ylphenyl)-1,3-thiazol-2-amine
PubChem CID2741200
Molecular FormulaC26H24FN3OS
Molecular Weight445.56 g/mol
Exact Mass445.16
IUPAC Name4-[4-(2-fluorophenyl)phenyl]-5-methyl-N-(2-morpholin-4-ylphenyl)-1,3-thiazol-2-amine
SMILESCc1sc(Nc2ccccc2N2CCOCC2)nc1-c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C26H24FN3OS/c1-18-25(20-12-10-19(11-13-20)21-6-2-3-7-22(21)27)29-26(32-18)28-23-8-4-5-9-24(23)30-14-16-31-17-15-30/h2-13H,14-17H2,1H3,(H,28,29)
InChIKeyBTRRVOYXNOWTFU-UHFFFAOYSA-N
XLogP6.50
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.56
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 53338366
N-(2,5-dimorpholin-4-ylphenyl)-2-(2-fluorophenyl)-3-methylquinolin-4-amine
CID 50905050
4-(2-fluorophenyl)-2-methyl-6-morpholin-4-ylpyrimidin-5-amine
CID 83286313
5-N-(2-fluorophenyl)-3-N-(2-morpholin-4-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112965414
1-methyl-N-(2-morpholin-4-ylphenyl)-4,5-dihydroimidazol-2-amine
CID 15746363
1-(2-methylpropyl)-N-(2-morpholin-4-ylphenyl)-4,5-dihydroimidazol-2-amine
CID 15746340
4-N-(2-methoxyphenyl)-2-methyl-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine
CID 112878299
N-(2-bromophenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine;hydrochloride
CID 45053016
N-(2,5-dimorpholin-4-ylphenyl)-7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-amine
CID 59631208
4-(3,4-dimethylphenyl)-5-methyl-N-(2-methylphenyl)-1,3-thiazol-2-amine
CID 126052604
4-N-cyclopropyl-2-methyl-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine
CID 112867594
6-fluoro-1-methyl-3-(2-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one
CID 146479547

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluorophenyl)phenyl]-5-methyl-N-(2-morpholin-4-ylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[4-(2-fluorophenyl)phenyl]-5-methyl-N-(2-morpholin-4-ylphenyl)-1,3-thiazol-2-amine (CID 2741200) is 4-[4-(2-fluorophenyl)phenyl]-5-methyl-N-(2-morpholin-4-ylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[4-(2-fluorophenyl)phenyl]-5-methyl-N-(2-morpholin-4-ylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[4-(2-fluorophenyl)phenyl]-5-methyl-N-(2-morpholin-4-ylphenyl)-1,3-thiazol-2-amine is Cc1sc(Nc2ccccc2N2CCOCC2)nc1-c1ccc(-c2ccccc2F)cc1.
What is the InChIKey of 4-[4-(2-fluorophenyl)phenyl]-5-methyl-N-(2-morpholin-4-ylphenyl)-1,3-thiazol-2-amine?
The InChIKey is BTRRVOYXNOWTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3OS/c1-18-25(20-12-10-19(11-13-20)21-6-2-3-7-22(21)27)29-26(32-18)28-23-8-4-5-9-24(23)30-14-16-31-17-15-30/h2-13H,14-17H2,1H3,(H,28,29).
What are the key properties of 4-[4-(2-fluorophenyl)phenyl]-5-methyl-N-(2-morpholin-4-ylphenyl)-1,3-thiazol-2-amine?
4-[4-(2-fluorophenyl)phenyl]-5-methyl-N-(2-morpholin-4-ylphenyl)-1,3-thiazol-2-amine has a molecular weight of 445.56 g/mol, XLogP of 6.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluorophenyl)phenyl]-5-methyl-N-(2-morpholin-4-ylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 2741200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).