5-N-methyl-2-N,5-N,4-triphenyl-1,3-thiazole-2,5-diamine

C22H19N3S — CID 4868296

IUPAC5-N-methyl-2-N,5-N,4-triphenyl-1,3-thiazole-2,5-diamine
SMILESCN(c1ccccc1)c1sc(Nc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C22H19N3S/c1-25(19-15-9-4-10-16-19)21-20(17-11-5-2-6-12-17)24-22(26-21)23-18-13-7-3-8-14-18/h2-16H,1H3,(H,23,24)
InChIKeyOGGBZLOAUCMWRT-UHFFFAOYSA-N
MW357.48 g/mol
LogP6.32
Rot. Bonds5

About 5-N-methyl-2-N,5-N,4-triphenyl-1,3-thiazole-2,5-diamine

5-N-methyl-2-N,5-N,4-triphenyl-1,3-thiazole-2,5-diamine (PubChem CID 4868296) has the molecular formula C22H19N3S and a molecular weight of 357.48 g/mol. Its IUPAC name is 5-N-methyl-2-N,5-N,4-triphenyl-1,3-thiazole-2,5-diamine.

Molecular Properties

Compound Name5-N-methyl-2-N,5-N,4-triphenyl-1,3-thiazole-2,5-diamine
PubChem CID4868296
Molecular FormulaC22H19N3S
Molecular Weight357.48 g/mol
Exact Mass357.13
IUPAC Name5-N-methyl-2-N,5-N,4-triphenyl-1,3-thiazole-2,5-diamine
SMILESCN(c1ccccc1)c1sc(Nc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C22H19N3S/c1-25(19-15-9-4-10-16-19)21-20(17-11-5-2-6-12-17)24-22(26-21)23-18-13-7-3-8-14-18/h2-16H,1H3,(H,23,24)
InChIKeyOGGBZLOAUCMWRT-UHFFFAOYSA-N
XLogP6.32
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.48
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-N-methyl-2-N,7-N-diphenyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
CID 11652884
4-(4-methylsulfanylphenyl)-N,5-diphenyl-1,3-thiazol-2-amine;hydrobromide
CID 17389451
4-(4-chlorophenyl)-N,5-diphenyl-1,3-thiazol-2-amine;hydrobromide
CID 2806453
N-(3,5-dimethylphenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 53387374
1-(2-anilino-4-pyridin-4-yl-1,3-thiazol-5-yl)ethanone
CID 58242807
4-[(2-anilino-4-phenyl-1,3-thiazol-5-yl)oxy]-3,5-dimethylbenzonitrile
CID 72706432
methyl 4-[(4-phenyl-5-propyl-1,3-thiazol-2-yl)amino]benzoate
CID 1111717
2-(4-methoxyanilino)-N-(3-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 2360763
4-methyl-1-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzene-1,3-diamine
CID 82059125
2-N-methyl-2-N,6-N-diphenyl-4-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
CID 155667011
2-[2-anilino-4-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 23913706
2-anilino-4-phenyl-N-pyridin-1-ium-3-yl-1,3-thiazole-5-carboxamide
CID 5049525

Frequently Asked Questions

What is the IUPAC name of 5-N-methyl-2-N,5-N,4-triphenyl-1,3-thiazole-2,5-diamine?
The IUPAC name of 5-N-methyl-2-N,5-N,4-triphenyl-1,3-thiazole-2,5-diamine (CID 4868296) is 5-N-methyl-2-N,5-N,4-triphenyl-1,3-thiazole-2,5-diamine.
What is the SMILES notation for 5-N-methyl-2-N,5-N,4-triphenyl-1,3-thiazole-2,5-diamine?
The canonical SMILES for 5-N-methyl-2-N,5-N,4-triphenyl-1,3-thiazole-2,5-diamine is CN(c1ccccc1)c1sc(Nc2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 5-N-methyl-2-N,5-N,4-triphenyl-1,3-thiazole-2,5-diamine?
The InChIKey is OGGBZLOAUCMWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3S/c1-25(19-15-9-4-10-16-19)21-20(17-11-5-2-6-12-17)24-22(26-21)23-18-13-7-3-8-14-18/h2-16H,1H3,(H,23,24).
What are the key properties of 5-N-methyl-2-N,5-N,4-triphenyl-1,3-thiazole-2,5-diamine?
5-N-methyl-2-N,5-N,4-triphenyl-1,3-thiazole-2,5-diamine has a molecular weight of 357.48 g/mol, XLogP of 6.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-methyl-2-N,5-N,4-triphenyl-1,3-thiazole-2,5-diamine is sourced from PubChem (CID 4868296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).