4-[(2-anilino-4-phenyl-1,3-thiazol-5-yl)oxy]-3,5-dimethylbenzonitrile

C24H19N3OS — CID 72706432

IUPAC4-[(2-anilino-4-phenyl-1,3-thiazol-5-yl)oxy]-3,5-dimethylbenzonitrile
SMILESCc1cc(C#N)cc(C)c1Oc1sc(Nc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C24H19N3OS/c1-16-13-18(15-25)14-17(2)22(16)28-23-21(19-9-5-3-6-10-19)27-24(29-23)26-20-11-7-4-8-12-20/h3-14H,1-2H3,(H,26,27)
InChIKeyBGQQXVICNLAZGS-UHFFFAOYSA-N
MW397.50 g/mol
LogP6.83
Rot. Bonds5

About 4-[(2-anilino-4-phenyl-1,3-thiazol-5-yl)oxy]-3,5-dimethylbenzonitrile

4-[(2-anilino-4-phenyl-1,3-thiazol-5-yl)oxy]-3,5-dimethylbenzonitrile (PubChem CID 72706432) has the molecular formula C24H19N3OS and a molecular weight of 397.50 g/mol. Its IUPAC name is 4-[(2-anilino-4-phenyl-1,3-thiazol-5-yl)oxy]-3,5-dimethylbenzonitrile.

Molecular Properties

Compound Name4-[(2-anilino-4-phenyl-1,3-thiazol-5-yl)oxy]-3,5-dimethylbenzonitrile
PubChem CID72706432
Molecular FormulaC24H19N3OS
Molecular Weight397.50 g/mol
Exact Mass397.12
IUPAC Name4-[(2-anilino-4-phenyl-1,3-thiazol-5-yl)oxy]-3,5-dimethylbenzonitrile
SMILESCc1cc(C#N)cc(C)c1Oc1sc(Nc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C24H19N3OS/c1-16-13-18(15-25)14-17(2)22(16)28-23-21(19-9-5-3-6-10-19)27-24(29-23)26-20-11-7-4-8-12-20/h3-14H,1-2H3,(H,26,27)
InChIKeyBGQQXVICNLAZGS-UHFFFAOYSA-N
XLogP6.83
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.50
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(4-cyanoanilino)-5-phenylpyrimidin-4-yl]oxy-3,5-dimethylbenzonitrile
CID 160641297
5-N-methyl-2-N,5-N,4-triphenyl-1,3-thiazole-2,5-diamine
CID 4868296
N-(3,5-dimethylphenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 53387374
4-methyl-1-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzene-1,3-diamine
CID 82059125
2-(4-cyano-2,6-dimethylphenoxy)-N-phenylacetamide
CID 65471325
4-[[4-[2-[[4-anilino-6-(2,4,6-trimethylphenoxy)-1,3,5-triazin-2-yl]amino]ethylamino]-6-(2,4,6-trimethylphenoxy)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 71459773
4-[[2-chloro-6-(4-cyanoanilino)-4-pyridinyl]oxy]-3,5-dimethylbenzonitrile
CID 127027057
[6-(4-cyanophenyl)-5-methyl-2-phenyl-3-pyridinyl] carbamate
CID 175005672
2-(2-anilino-4-phenyl-1,3-thiazol-5-yl)-3-(2-methylphenyl)quinazolin-4-one
CID 11842419
3,5-dimethyl-4-[6-(3-methylanilino)-2-(4-methylanilino)pyrimidin-4-yl]oxybenzonitrile
CID 127032523
4-[2-(4-cyanoanilino)-7-methylthieno[3,2-d]pyrimidin-4-yl]oxy-3,5-dimethylbenzonitrile
CID 24954984
2-(4-methoxyanilino)-N-(3-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 2360763

Frequently Asked Questions

What is the IUPAC name of 4-[(2-anilino-4-phenyl-1,3-thiazol-5-yl)oxy]-3,5-dimethylbenzonitrile?
The IUPAC name of 4-[(2-anilino-4-phenyl-1,3-thiazol-5-yl)oxy]-3,5-dimethylbenzonitrile (CID 72706432) is 4-[(2-anilino-4-phenyl-1,3-thiazol-5-yl)oxy]-3,5-dimethylbenzonitrile.
What is the SMILES notation for 4-[(2-anilino-4-phenyl-1,3-thiazol-5-yl)oxy]-3,5-dimethylbenzonitrile?
The canonical SMILES for 4-[(2-anilino-4-phenyl-1,3-thiazol-5-yl)oxy]-3,5-dimethylbenzonitrile is Cc1cc(C#N)cc(C)c1Oc1sc(Nc2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 4-[(2-anilino-4-phenyl-1,3-thiazol-5-yl)oxy]-3,5-dimethylbenzonitrile?
The InChIKey is BGQQXVICNLAZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3OS/c1-16-13-18(15-25)14-17(2)22(16)28-23-21(19-9-5-3-6-10-19)27-24(29-23)26-20-11-7-4-8-12-20/h3-14H,1-2H3,(H,26,27).
What are the key properties of 4-[(2-anilino-4-phenyl-1,3-thiazol-5-yl)oxy]-3,5-dimethylbenzonitrile?
4-[(2-anilino-4-phenyl-1,3-thiazol-5-yl)oxy]-3,5-dimethylbenzonitrile has a molecular weight of 397.50 g/mol, XLogP of 6.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-anilino-4-phenyl-1,3-thiazol-5-yl)oxy]-3,5-dimethylbenzonitrile is sourced from PubChem (CID 72706432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).