(1R)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-(4-methylphenyl)-1-phenylmethanamine

C25H24N2OS — CID 8640407

IUPAC(1R)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-(4-methylphenyl)-1-phenylmethanamine
SMILESCOc1ccc(-c2nc(CN[C@H](c3ccccc3)c3ccc(C)cc3)cs2)cc1
InChIInChI=1S/C25H24N2OS/c1-18-8-10-20(11-9-18)24(19-6-4-3-5-7-19)26-16-22-17-29-25(27-22)21-12-14-23(28-2)15-13-21/h3-15,17,24,26H,16H2,1-2H3/t24-/m1/s1
InChIKeyHMPFCZLUZAYUON-XMMPIXPASA-N
MW400.55 g/mol
LogP6.01
Rot. Bonds7

About (1R)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-(4-methylphenyl)-1-phenylmethanamine

(1R)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-(4-methylphenyl)-1-phenylmethanamine (PubChem CID 8640407) has the molecular formula C25H24N2OS and a molecular weight of 400.55 g/mol. Its IUPAC name is (1R)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-(4-methylphenyl)-1-phenylmethanamine.

Molecular Properties

Compound Name(1R)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-(4-methylphenyl)-1-phenylmethanamine
PubChem CID8640407
Molecular FormulaC25H24N2OS
Molecular Weight400.55 g/mol
Exact Mass400.16
IUPAC Name(1R)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-(4-methylphenyl)-1-phenylmethanamine
SMILESCOc1ccc(-c2nc(CN[C@H](c3ccccc3)c3ccc(C)cc3)cs2)cc1
InChIInChI=1S/C25H24N2OS/c1-18-8-10-20(11-9-18)24(19-6-4-3-5-7-19)26-16-22-17-29-25(27-22)21-12-14-23(28-2)15-13-21/h3-15,17,24,26H,16H2,1-2H3/t24-/m1/s1
InChIKeyHMPFCZLUZAYUON-XMMPIXPASA-N
XLogP6.01
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.55
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(4-methylphenyl)-1-phenyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine
CID 9393421
2-(4-methoxyphenyl)-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]acetamide
CID 17164148
N-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-phenyl-1-thiophen-2-ylmethanamine
CID 17478782
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 55395310
6-(4-methoxyphenyl)-N-[(4-methylphenyl)-phenylmethyl]hexan-1-amine
CID 118579652
1-[(4-methoxyphenyl)methyl]-2-methyl-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine
CID 111182045
N-(4-methylphenyl)-2-[4-[[[(4-methylphenyl)-phenylmethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 78788068
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 8863848
N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide
CID 6467576
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 40819121
N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 60641301
2-(4-methoxyphenyl)-4-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazole
CID 7146150

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-(4-methylphenyl)-1-phenylmethanamine?
The IUPAC name of (1R)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-(4-methylphenyl)-1-phenylmethanamine (CID 8640407) is (1R)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-(4-methylphenyl)-1-phenylmethanamine.
What is the SMILES notation for (1R)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-(4-methylphenyl)-1-phenylmethanamine?
The canonical SMILES for (1R)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-(4-methylphenyl)-1-phenylmethanamine is COc1ccc(-c2nc(CN[C@H](c3ccccc3)c3ccc(C)cc3)cs2)cc1.
What is the InChIKey of (1R)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-(4-methylphenyl)-1-phenylmethanamine?
The InChIKey is HMPFCZLUZAYUON-XMMPIXPASA-N. The full InChI is InChI=1S/C25H24N2OS/c1-18-8-10-20(11-9-18)24(19-6-4-3-5-7-19)26-16-22-17-29-25(27-22)21-12-14-23(28-2)15-13-21/h3-15,17,24,26H,16H2,1-2H3/t24-/m1/s1.
What are the key properties of (1R)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-(4-methylphenyl)-1-phenylmethanamine?
(1R)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-(4-methylphenyl)-1-phenylmethanamine has a molecular weight of 400.55 g/mol, XLogP of 6.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-(4-methylphenyl)-1-phenylmethanamine is sourced from PubChem (CID 8640407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).