N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-naphthalen-2-yloxyacetamide

C25H19N3O2S — CID 16815202

IUPACN-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-naphthalen-2-yloxyacetamide
SMILESCc1c(NC(=O)COc2ccc3ccccc3c2)cccc1-c1nc2cccnc2s1
InChIInChI=1S/C25H19N3O2S/c1-16-20(24-28-22-10-5-13-26-25(22)31-24)8-4-9-21(16)27-23(29)15-30-19-12-11-17-6-2-3-7-18(17)14-19/h2-14H,15H2,1H3,(H,27,29)
InChIKeyBFLGKBKDCAGDDU-UHFFFAOYSA-N
MW425.51 g/mol
LogP5.84
Rot. Bonds5

About N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-naphthalen-2-yloxyacetamide

N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-naphthalen-2-yloxyacetamide (PubChem CID 16815202) has the molecular formula C25H19N3O2S and a molecular weight of 425.51 g/mol. Its IUPAC name is N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-naphthalen-2-yloxyacetamide
PubChem CID16815202
Molecular FormulaC25H19N3O2S
Molecular Weight425.51 g/mol
Exact Mass425.12
IUPAC NameN-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-naphthalen-2-yloxyacetamide
SMILESCc1c(NC(=O)COc2ccc3ccccc3c2)cccc1-c1nc2cccnc2s1
InChIInChI=1S/C25H19N3O2S/c1-16-20(24-28-22-10-5-13-26-25(22)31-24)8-4-9-21(16)27-23(29)15-30-19-12-11-17-6-2-3-7-18(17)14-19/h2-14H,15H2,1H3,(H,27,29)
InChIKeyBFLGKBKDCAGDDU-UHFFFAOYSA-N
XLogP5.84
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.51
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 121024897
2,5-dimethoxy-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 121024913
2-(benzimidazol-1-yl)-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121025018
N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 121025035
2-(3-methylphenoxy)-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide
CID 121024920
2-(3-methylphenoxy)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121024714
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 122162419
N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-(2-methylphenoxy)acetamide
CID 1396043
2-(4-fluorophenoxy)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121024589
(E)-3-(2-chlorophenyl)-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]prop-2-enamide
CID 121024942
N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-naphthalen-1-yloxyacetamide
CID 121024490
ethyl N-[2-methyl-3-[(2-naphthalen-2-yloxyacetyl)amino]phenyl]carbamate
CID 87043151

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-naphthalen-2-yloxyacetamide (CID 16815202) is N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-naphthalen-2-yloxyacetamide is Cc1c(NC(=O)COc2ccc3ccccc3c2)cccc1-c1nc2cccnc2s1.
What is the InChIKey of N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-naphthalen-2-yloxyacetamide?
The InChIKey is BFLGKBKDCAGDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O2S/c1-16-20(24-28-22-10-5-13-26-25(22)31-24)8-4-9-21(16)27-23(29)15-30-19-12-11-17-6-2-3-7-18(17)14-19/h2-14H,15H2,1H3,(H,27,29).
What are the key properties of N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-naphthalen-2-yloxyacetamide?
N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-naphthalen-2-yloxyacetamide has a molecular weight of 425.51 g/mol, XLogP of 5.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 16815202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).