(1S)-1-(4-methylphenyl)-1-phenyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine

C24H22N2S — CID 9393421

IUPAC(1S)-1-(4-methylphenyl)-1-phenyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCc1ccc([C@@H](NCc2csc(-c3ccccc3)n2)c2ccccc2)cc1
InChIInChI=1S/C24H22N2S/c1-18-12-14-20(15-13-18)23(19-8-4-2-5-9-19)25-16-22-17-27-24(26-22)21-10-6-3-7-11-21/h2-15,17,23,25H,16H2,1H3/t23-/m0/s1
InChIKeyRNKWALWTBJUADN-QHCPKHFHSA-N
MW370.52 g/mol
LogP6.00
Rot. Bonds6

About (1S)-1-(4-methylphenyl)-1-phenyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine

(1S)-1-(4-methylphenyl)-1-phenyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine (PubChem CID 9393421) has the molecular formula C24H22N2S and a molecular weight of 370.52 g/mol. Its IUPAC name is (1S)-1-(4-methylphenyl)-1-phenyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name(1S)-1-(4-methylphenyl)-1-phenyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine
PubChem CID9393421
Molecular FormulaC24H22N2S
Molecular Weight370.52 g/mol
Exact Mass370.15
IUPAC Name(1S)-1-(4-methylphenyl)-1-phenyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCc1ccc([C@@H](NCc2csc(-c3ccccc3)n2)c2ccccc2)cc1
InChIInChI=1S/C24H22N2S/c1-18-12-14-20(15-13-18)23(19-8-4-2-5-9-19)25-16-22-17-27-24(26-22)21-10-6-3-7-11-21/h2-15,17,23,25H,16H2,1H3/t23-/m0/s1
InChIKeyRNKWALWTBJUADN-QHCPKHFHSA-N
XLogP6.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.52
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-1-(4-methylphenyl)-1-phenyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine with MolForge

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Related Compounds

(1R)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-(4-methylphenyl)-1-phenylmethanamine
CID 8640407
N-(4-methylphenyl)-2-[4-[[[(4-methylphenyl)-phenylmethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 78788068
4-[2-(4-methylphenyl)ethyl]-2-phenyl-1,3-thiazole
CID 155185709
N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide
CID 6467576
N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 60641301
(2S)-2-[(4-methylphenyl)sulfonylamino]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
CID 87040272
4-ethyl-2-phenyl-1,3-thiazole
CID 5324799
2-hydroxy-2-phenyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
CID 111536450
2-methyl-1-(2-phenylpropyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 111343386
(1S)-1-(2,4-dichlorophenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 9254406
[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium
CID 8867233
1-[2-(4-butan-2-ylphenyl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 116868218

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-methylphenyl)-1-phenyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine?
The IUPAC name of (1S)-1-(4-methylphenyl)-1-phenyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine (CID 9393421) is (1S)-1-(4-methylphenyl)-1-phenyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine.
What is the SMILES notation for (1S)-1-(4-methylphenyl)-1-phenyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine?
The canonical SMILES for (1S)-1-(4-methylphenyl)-1-phenyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine is Cc1ccc([C@@H](NCc2csc(-c3ccccc3)n2)c2ccccc2)cc1.
What is the InChIKey of (1S)-1-(4-methylphenyl)-1-phenyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine?
The InChIKey is RNKWALWTBJUADN-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H22N2S/c1-18-12-14-20(15-13-18)23(19-8-4-2-5-9-19)25-16-22-17-27-24(26-22)21-10-6-3-7-11-21/h2-15,17,23,25H,16H2,1H3/t23-/m0/s1.
What are the key properties of (1S)-1-(4-methylphenyl)-1-phenyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine?
(1S)-1-(4-methylphenyl)-1-phenyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine has a molecular weight of 370.52 g/mol, XLogP of 6.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-methylphenyl)-1-phenyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine is sourced from PubChem (CID 9393421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).