[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium

C22H21N2S2+ — CID 8867233

IUPAC[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium
SMILESCc1ccc([C@@H]([NH2+]Cc2csc(-c3ccccc3)n2)c2cccs2)cc1
InChIInChI=1S/C22H20N2S2/c1-16-9-11-17(12-10-16)21(20-8-5-13-25-20)23-14-19-15-26-22(24-19)18-6-3-2-4-7-18/h2-13,15,21,23H,14H2,1H3/p+1/t21-/m1/s1
InChIKeyNVZYZISJLGJXBH-OAQYLSRUSA-O
MW377.56 g/mol
LogP5.03
Rot. Bonds6

About [(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium

[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium (PubChem CID 8867233) has the molecular formula C22H21N2S2+ and a molecular weight of 377.56 g/mol. Its IUPAC name is [(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium.

Molecular Properties

Compound Name[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium
PubChem CID8867233
Molecular FormulaC22H21N2S2+
Molecular Weight377.56 g/mol
Exact Mass377.11
IUPAC Name[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium
SMILESCc1ccc([C@@H]([NH2+]Cc2csc(-c3ccccc3)n2)c2cccs2)cc1
InChIInChI=1S/C22H20N2S2/c1-16-9-11-17(12-10-16)21(20-8-5-13-25-20)23-14-19-15-26-22(24-19)18-6-3-2-4-7-18/h2-13,15,21,23H,14H2,1H3/p+1/t21-/m1/s1
InChIKeyNVZYZISJLGJXBH-OAQYLSRUSA-O
XLogP5.03
TPSA29.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.56
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium with MolForge

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Related Compounds

[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 9051494
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 8863848
[(R)-phenyl(thiophen-2-yl)methyl]-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]azanium
CID 8866823
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 8863582
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium
CID 8868523
(1S)-1-(4-methylphenyl)-1-phenyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine
CID 9393421
4-[2-(4-methylphenyl)ethyl]-2-phenyl-1,3-thiazole
CID 155185709
4-ethyl-2-phenyl-1,3-thiazole
CID 5324799
2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]aniline
CID 43248905
ethane;4-ethyl-2-phenyl-1,3-thiazole
CID 91427044
4-ethyl-2-phenyl-1,3-thiazole;dihydrochloride
CID 118514483
[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]azanium
CID 8867151

Frequently Asked Questions

What is the IUPAC name of [(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium?
The IUPAC name of [(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium (CID 8867233) is [(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium.
What is the SMILES notation for [(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium?
The canonical SMILES for [(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium is Cc1ccc([C@@H]([NH2+]Cc2csc(-c3ccccc3)n2)c2cccs2)cc1.
What is the InChIKey of [(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium?
The InChIKey is NVZYZISJLGJXBH-OAQYLSRUSA-O. The full InChI is InChI=1S/C22H20N2S2/c1-16-9-11-17(12-10-16)21(20-8-5-13-25-20)23-14-19-15-26-22(24-19)18-6-3-2-4-7-18/h2-13,15,21,23H,14H2,1H3/p+1/t21-/m1/s1.
What are the key properties of [(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium?
[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium has a molecular weight of 377.56 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium is sourced from PubChem (CID 8867233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).