N-[5-fluoro-2-methyl-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]phenyl]-2,3,4,5-tetrahydropyridin-6-amine

C23H24FN3S — CID 145045216

IUPACN-[5-fluoro-2-methyl-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]phenyl]-2,3,4,5-tetrahydropyridin-6-amine
SMILESCc1ccc(-c2csc(Cc3cc(C)c(NC4=NCCCC4)cc3F)n2)cc1
InChIInChI=1S/C23H24FN3S/c1-15-6-8-17(9-7-15)21-14-28-23(27-21)12-18-11-16(2)20(13-19(18)24)26-22-5-3-4-10-25-22/h6-9,11,13-14H,3-5,10,12H2,1-2H3,(H,25,26)
InChIKeyMYXYZLVHXUFHGL-UHFFFAOYSA-N
MW393.53 g/mol
LogP6.15
Rot. Bonds4

About N-[5-fluoro-2-methyl-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]phenyl]-2,3,4,5-tetrahydropyridin-6-amine

N-[5-fluoro-2-methyl-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]phenyl]-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 145045216) has the molecular formula C23H24FN3S and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[5-fluoro-2-methyl-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]phenyl]-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound NameN-[5-fluoro-2-methyl-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]phenyl]-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID145045216
Molecular FormulaC23H24FN3S
Molecular Weight393.53 g/mol
Exact Mass393.17
IUPAC NameN-[5-fluoro-2-methyl-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]phenyl]-2,3,4,5-tetrahydropyridin-6-amine
SMILESCc1ccc(-c2csc(Cc3cc(C)c(NC4=NCCCC4)cc3F)n2)cc1
InChIInChI=1S/C23H24FN3S/c1-15-6-8-17(9-7-15)21-14-28-23(27-21)12-18-11-16(2)20(13-19(18)24)26-22-5-3-4-10-25-22/h6-9,11,13-14H,3-5,10,12H2,1-2H3,(H,25,26)
InChIKeyMYXYZLVHXUFHGL-UHFFFAOYSA-N
XLogP6.15
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.53
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2,5-dimethyl-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]phenyl]-2,3,4,5-tetrahydropyridin-6-amine
CID 145045272
N-[5-bromo-2-methyl-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]phenyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 145045163
2-[2,5-dimethyl-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]anilino]-4,5-dihydro-1H-pyrimidin-6-one
CID 145045164
N-[5-(difluoromethyl)-2-methyl-4-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methyl]phenyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 145045138
N-(2,4-dimethylphenyl)-2,3,4,5-tetrahydropyridin-6-amine
CID 79508850
2-[(2-tert-butyl-4,5-dimethylphenyl)methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazole
CID 144676427
3-[2,5-dimethyl-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]phenyl]-N-ethyl-N-methylpropan-1-amine
CID 71290617
2-[(2,5-dimethylphenyl)methyl]-4-(4-methylsulfanylphenyl)-1,3-thiazole
CID 144541797
2-methyl-4-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methyl]-5-(trifluoromethyl)aniline
CID 90322260
4-[4-(difluoromethoxy)phenyl]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-thiazol-2-amine
CID 34883745
2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,3-thiazole
CID 16566864
N-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]methanamine
CID 4660258

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-2-methyl-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]phenyl]-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of N-[5-fluoro-2-methyl-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]phenyl]-2,3,4,5-tetrahydropyridin-6-amine (CID 145045216) is N-[5-fluoro-2-methyl-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]phenyl]-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for N-[5-fluoro-2-methyl-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]phenyl]-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for N-[5-fluoro-2-methyl-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]phenyl]-2,3,4,5-tetrahydropyridin-6-amine is Cc1ccc(-c2csc(Cc3cc(C)c(NC4=NCCCC4)cc3F)n2)cc1.
What is the InChIKey of N-[5-fluoro-2-methyl-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]phenyl]-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is MYXYZLVHXUFHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3S/c1-15-6-8-17(9-7-15)21-14-28-23(27-21)12-18-11-16(2)20(13-19(18)24)26-22-5-3-4-10-25-22/h6-9,11,13-14H,3-5,10,12H2,1-2H3,(H,25,26).
What are the key properties of N-[5-fluoro-2-methyl-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]phenyl]-2,3,4,5-tetrahydropyridin-6-amine?
N-[5-fluoro-2-methyl-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]phenyl]-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 393.53 g/mol, XLogP of 6.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-2-methyl-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]phenyl]-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 145045216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).