4-methyl-N-[4-(3-phenylmethoxyphenoxy)-2-pyridinyl]-1,3-thiazol-2-amine

C22H19N3O2S — CID 24826501

IUPAC4-methyl-N-[4-(3-phenylmethoxyphenoxy)-2-pyridinyl]-1,3-thiazol-2-amine
SMILESCc1csc(Nc2cc(Oc3cccc(OCc4ccccc4)c3)ccn2)n1
InChIInChI=1S/C22H19N3O2S/c1-16-15-28-22(24-16)25-21-13-20(10-11-23-21)27-19-9-5-8-18(12-19)26-14-17-6-3-2-4-7-17/h2-13,15H,14H2,1H3,(H,23,24,25)
InChIKeyXIKWFKWULGTDGC-UHFFFAOYSA-N
MW389.48 g/mol
LogP5.96
Rot. Bonds7

About 4-methyl-N-[4-(3-phenylmethoxyphenoxy)-2-pyridinyl]-1,3-thiazol-2-amine

4-methyl-N-[4-(3-phenylmethoxyphenoxy)-2-pyridinyl]-1,3-thiazol-2-amine (PubChem CID 24826501) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is 4-methyl-N-[4-(3-phenylmethoxyphenoxy)-2-pyridinyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-[4-(3-phenylmethoxyphenoxy)-2-pyridinyl]-1,3-thiazol-2-amine
PubChem CID24826501
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC Name4-methyl-N-[4-(3-phenylmethoxyphenoxy)-2-pyridinyl]-1,3-thiazol-2-amine
SMILESCc1csc(Nc2cc(Oc3cccc(OCc4ccccc4)c3)ccn2)n1
InChIInChI=1S/C22H19N3O2S/c1-16-15-28-22(24-16)25-21-13-20(10-11-23-21)27-19-9-5-8-18(12-19)26-14-17-6-3-2-4-7-17/h2-13,15H,14H2,1H3,(H,23,24,25)
InChIKeyXIKWFKWULGTDGC-UHFFFAOYSA-N
XLogP5.96
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.48
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-3-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]oxy]benzoic acid;hydrochloride
CID 86634756
4-methyl-N-(5-methyl-3-phenylmethoxy-2-pyridinyl)-1,3-thiazol-2-amine
CID 59225669
4-methyl-N-(4-piperidin-4-yloxy-2-pyridinyl)-1,3-thiazol-2-amine
CID 24826060
4-methyl-N-(4-phenoxypyrimidin-2-yl)-1,3-thiazol-2-amine
CID 24825980
N-(5-benzyl-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine
CID 59225651
N-[4-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]sulfanyl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine
CID 88907044
ethane;1-methyl-4-(3-phenylmethoxyphenoxy)benzene
CID 142197636
N-(5-benzyl-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine;hydrochloride
CID 86639683
N-(5-chloro-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine;hydrochloride
CID 72702870
2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]sulfanyl]phenol
CID 24826425
4-(3-phenylmethoxyphenoxy)aniline
CID 89036367
2-[3-[[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]amino]phenoxy]acetic acid
CID 71542690

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-(3-phenylmethoxyphenoxy)-2-pyridinyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-[4-(3-phenylmethoxyphenoxy)-2-pyridinyl]-1,3-thiazol-2-amine (CID 24826501) is 4-methyl-N-[4-(3-phenylmethoxyphenoxy)-2-pyridinyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-[4-(3-phenylmethoxyphenoxy)-2-pyridinyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-[4-(3-phenylmethoxyphenoxy)-2-pyridinyl]-1,3-thiazol-2-amine is Cc1csc(Nc2cc(Oc3cccc(OCc4ccccc4)c3)ccn2)n1.
What is the InChIKey of 4-methyl-N-[4-(3-phenylmethoxyphenoxy)-2-pyridinyl]-1,3-thiazol-2-amine?
The InChIKey is XIKWFKWULGTDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-16-15-28-22(24-16)25-21-13-20(10-11-23-21)27-19-9-5-8-18(12-19)26-14-17-6-3-2-4-7-17/h2-13,15H,14H2,1H3,(H,23,24,25).
What are the key properties of 4-methyl-N-[4-(3-phenylmethoxyphenoxy)-2-pyridinyl]-1,3-thiazol-2-amine?
4-methyl-N-[4-(3-phenylmethoxyphenoxy)-2-pyridinyl]-1,3-thiazol-2-amine has a molecular weight of 389.48 g/mol, XLogP of 5.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-(3-phenylmethoxyphenoxy)-2-pyridinyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 24826501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).