3-[3-[[4-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]phenyl]propanenitrile

C24H20N4OS — CID 169196595

IUPAC3-[3-[[4-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]phenyl]propanenitrile
SMILESCc1nc(-c2ccccc2)c(Oc2ccnc(Nc3cccc(CCC#N)c3)c2)s1
InChIInChI=1S/C24H20N4OS/c1-17-27-23(19-9-3-2-4-10-19)24(30-17)29-21-12-14-26-22(16-21)28-20-11-5-7-18(15-20)8-6-13-25/h2-5,7,9-12,14-16H,6,8H2,1H3,(H,26,28)
InChIKeyIBOSEMYTLPWLPE-UHFFFAOYSA-N
MW412.52 g/mol
LogP6.51
Rot. Bonds7

About 3-[3-[[4-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]phenyl]propanenitrile

3-[3-[[4-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]phenyl]propanenitrile (PubChem CID 169196595) has the molecular formula C24H20N4OS and a molecular weight of 412.52 g/mol. Its IUPAC name is 3-[3-[[4-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]phenyl]propanenitrile.

Molecular Properties

Compound Name3-[3-[[4-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]phenyl]propanenitrile
PubChem CID169196595
Molecular FormulaC24H20N4OS
Molecular Weight412.52 g/mol
Exact Mass412.14
IUPAC Name3-[3-[[4-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]phenyl]propanenitrile
SMILESCc1nc(-c2ccccc2)c(Oc2ccnc(Nc3cccc(CCC#N)c3)c2)s1
InChIInChI=1S/C24H20N4OS/c1-17-27-23(19-9-3-2-4-10-19)24(30-17)29-21-12-14-26-22(16-21)28-20-11-5-7-18(15-20)8-6-13-25/h2-5,7,9-12,14-16H,6,8H2,1H3,(H,26,28)
InChIKeyIBOSEMYTLPWLPE-UHFFFAOYSA-N
XLogP6.51
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.52
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)oxy]-N-[3-(2H-tetrazol-5-ylmethyl)phenyl]pyridin-2-amine
CID 170172224
N-[(4-fluorophenyl)methyl]-4-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)oxy]pyridin-2-amine
CID 169196524
3-[[4-[(2-ethyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]benzoic acid
CID 169196594
2-[3-[[4-[[2-(cyclopropylamino)-4-phenyl-1,3-thiazol-5-yl]oxy]-2-pyridinyl]amino]phenyl]propan-2-ol
CID 169196646
2-methyl-5-phenoxy-4-phenyl-1,3-thiazole
CID 154105354
2-[[4-[(2-amino-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-4-carboxamide
CID 169196552
N-[3-(chloromethyl)phenyl]-4-[(2,6-dimethyl-3-pyridinyl)oxy]pyridin-2-amine
CID 68849847
4-[[4-[(2-cyclopropyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]benzamide
CID 169196564
N-methyl-4-[[4-[[4-phenyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]oxy]-2-pyridinyl]amino]benzamide
CID 169196487
6-[[4-[(2-amino-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-2-carboxamide
CID 169196537
4-[[4-[[2-ethyl-4-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]oxy]-2-pyridinyl]amino]pyridine-2-carboxylic acid
CID 169196419
6-[[4-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-2-carboxamide
CID 169196493

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[4-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]phenyl]propanenitrile?
The IUPAC name of 3-[3-[[4-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]phenyl]propanenitrile (CID 169196595) is 3-[3-[[4-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]phenyl]propanenitrile.
What is the SMILES notation for 3-[3-[[4-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]phenyl]propanenitrile?
The canonical SMILES for 3-[3-[[4-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]phenyl]propanenitrile is Cc1nc(-c2ccccc2)c(Oc2ccnc(Nc3cccc(CCC#N)c3)c2)s1.
What is the InChIKey of 3-[3-[[4-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]phenyl]propanenitrile?
The InChIKey is IBOSEMYTLPWLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4OS/c1-17-27-23(19-9-3-2-4-10-19)24(30-17)29-21-12-14-26-22(16-21)28-20-11-5-7-18(15-20)8-6-13-25/h2-5,7,9-12,14-16H,6,8H2,1H3,(H,26,28).
What are the key properties of 3-[3-[[4-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]phenyl]propanenitrile?
3-[3-[[4-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]phenyl]propanenitrile has a molecular weight of 412.52 g/mol, XLogP of 6.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[4-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]phenyl]propanenitrile is sourced from PubChem (CID 169196595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).