4-(4-methoxy-2-pyridin-2-yl-1,3-thiazol-5-yl)-N,N-diphenylaniline

C27H21N3OS — CID 70677721

IUPAC4-(4-methoxy-2-pyridin-2-yl-1,3-thiazol-5-yl)-N,N-diphenylaniline
SMILESCOc1nc(-c2ccccn2)sc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H21N3OS/c1-31-26-25(32-27(29-26)24-14-8-9-19-28-24)20-15-17-23(18-16-20)30(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-19H,1H3
InChIKeyOALDOGRBGKXELC-UHFFFAOYSA-N
MW435.55 g/mol
LogP7.35
Rot. Bonds6

About 4-(4-methoxy-2-pyridin-2-yl-1,3-thiazol-5-yl)-N,N-diphenylaniline

4-(4-methoxy-2-pyridin-2-yl-1,3-thiazol-5-yl)-N,N-diphenylaniline (PubChem CID 70677721) has the molecular formula C27H21N3OS and a molecular weight of 435.55 g/mol. Its IUPAC name is 4-(4-methoxy-2-pyridin-2-yl-1,3-thiazol-5-yl)-N,N-diphenylaniline.

Molecular Properties

Compound Name4-(4-methoxy-2-pyridin-2-yl-1,3-thiazol-5-yl)-N,N-diphenylaniline
PubChem CID70677721
Molecular FormulaC27H21N3OS
Molecular Weight435.55 g/mol
Exact Mass435.14
IUPAC Name4-(4-methoxy-2-pyridin-2-yl-1,3-thiazol-5-yl)-N,N-diphenylaniline
SMILESCOc1nc(-c2ccccn2)sc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H21N3OS/c1-31-26-25(32-27(29-26)24-14-8-9-19-28-24)20-15-17-23(18-16-20)30(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-19H,1H3
InChIKeyOALDOGRBGKXELC-UHFFFAOYSA-N
XLogP7.35
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.55
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

10-[4-(4-methoxy-2-pyridin-2-yl-1,3-thiazol-5-yl)phenyl]phenoxazine
CID 70677861
tert-butyl-dimethyl-[(5-phenyl-2-pyridin-2-yl-1,3-thiazol-4-yl)oxy]silane
CID 57412283
4,5-bis(4-methoxyphenyl)-2-pyridin-2-yl-1,3-thiazole
CID 15076241
N,N-bis(4-methoxyphenyl)-4-(4-methoxy-2-thiophen-2-yl-1,3-thiazol-5-yl)aniline
CID 102288216
N-phenyl-4-(6-pyridin-2-yl-2-pyridinyl)-N-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]aniline
CID 122435802
4-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)aniline
CID 116885261
N,N-bis(4-methoxyphenyl)-4-[5-(4-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]aniline
CID 101481951
4-[4-(N-(4-methoxyphenyl)anilino)phenyl]-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 90228198
4-[4-[N-(4-methoxyphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 90228188
4-(3-methoxy-5-methylpyrazin-2-yl)-N,N-diphenylaniline
CID 59866268
N-(2,6-dipyridin-2-yl-4-pyridinyl)-N-phenyl-2,6-dipyridin-2-ylpyridin-4-amine
CID 102395137
2,5-dipyridin-2-yl-1,3-thiazol-4-amine
CID 175286369

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-2-pyridin-2-yl-1,3-thiazol-5-yl)-N,N-diphenylaniline?
The IUPAC name of 4-(4-methoxy-2-pyridin-2-yl-1,3-thiazol-5-yl)-N,N-diphenylaniline (CID 70677721) is 4-(4-methoxy-2-pyridin-2-yl-1,3-thiazol-5-yl)-N,N-diphenylaniline.
What is the SMILES notation for 4-(4-methoxy-2-pyridin-2-yl-1,3-thiazol-5-yl)-N,N-diphenylaniline?
The canonical SMILES for 4-(4-methoxy-2-pyridin-2-yl-1,3-thiazol-5-yl)-N,N-diphenylaniline is COc1nc(-c2ccccn2)sc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-(4-methoxy-2-pyridin-2-yl-1,3-thiazol-5-yl)-N,N-diphenylaniline?
The InChIKey is OALDOGRBGKXELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3OS/c1-31-26-25(32-27(29-26)24-14-8-9-19-28-24)20-15-17-23(18-16-20)30(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-19H,1H3.
What are the key properties of 4-(4-methoxy-2-pyridin-2-yl-1,3-thiazol-5-yl)-N,N-diphenylaniline?
4-(4-methoxy-2-pyridin-2-yl-1,3-thiazol-5-yl)-N,N-diphenylaniline has a molecular weight of 435.55 g/mol, XLogP of 7.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-2-pyridin-2-yl-1,3-thiazol-5-yl)-N,N-diphenylaniline is sourced from PubChem (CID 70677721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).