1-(2,3-difluoro-4-methoxyphenyl)-N-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]methanamine

C19H18F2N2OS — CID 50971454

IUPAC1-(2,3-difluoro-4-methoxyphenyl)-N-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]methanamine
SMILESCOc1ccc(CNCc2cnc(-c3ccccc3C)s2)c(F)c1F
InChIInChI=1S/C19H18F2N2OS/c1-12-5-3-4-6-15(12)19-23-11-14(25-19)10-22-9-13-7-8-16(24-2)18(21)17(13)20/h3-8,11,22H,9-10H2,1-2H3
InChIKeyXSCGPZHKWWWVIQ-UHFFFAOYSA-N
MW360.43 g/mol
LogP4.70
Rot. Bonds6

About 1-(2,3-difluoro-4-methoxyphenyl)-N-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]methanamine

1-(2,3-difluoro-4-methoxyphenyl)-N-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]methanamine (PubChem CID 50971454) has the molecular formula C19H18F2N2OS and a molecular weight of 360.43 g/mol. Its IUPAC name is 1-(2,3-difluoro-4-methoxyphenyl)-N-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(2,3-difluoro-4-methoxyphenyl)-N-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]methanamine
PubChem CID50971454
Molecular FormulaC19H18F2N2OS
Molecular Weight360.43 g/mol
Exact Mass360.11
IUPAC Name1-(2,3-difluoro-4-methoxyphenyl)-N-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]methanamine
SMILESCOc1ccc(CNCc2cnc(-c3ccccc3C)s2)c(F)c1F
InChIInChI=1S/C19H18F2N2OS/c1-12-5-3-4-6-15(12)19-23-11-14(25-19)10-22-9-13-7-8-16(24-2)18(21)17(13)20/h3-8,11,22H,9-10H2,1-2H3
InChIKeyXSCGPZHKWWWVIQ-UHFFFAOYSA-N
XLogP4.70
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-4-methoxyphenyl)-N-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]methanamine?
The IUPAC name of 1-(2,3-difluoro-4-methoxyphenyl)-N-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]methanamine (CID 50971454) is 1-(2,3-difluoro-4-methoxyphenyl)-N-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]methanamine.
What is the SMILES notation for 1-(2,3-difluoro-4-methoxyphenyl)-N-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]methanamine?
The canonical SMILES for 1-(2,3-difluoro-4-methoxyphenyl)-N-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]methanamine is COc1ccc(CNCc2cnc(-c3ccccc3C)s2)c(F)c1F.
What is the InChIKey of 1-(2,3-difluoro-4-methoxyphenyl)-N-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]methanamine?
The InChIKey is XSCGPZHKWWWVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2OS/c1-12-5-3-4-6-15(12)19-23-11-14(25-19)10-22-9-13-7-8-16(24-2)18(21)17(13)20/h3-8,11,22H,9-10H2,1-2H3.
What are the key properties of 1-(2,3-difluoro-4-methoxyphenyl)-N-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]methanamine?
1-(2,3-difluoro-4-methoxyphenyl)-N-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]methanamine has a molecular weight of 360.43 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluoro-4-methoxyphenyl)-N-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]methanamine is sourced from PubChem (CID 50971454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).