N-[4-[(4-methyl-2-pyridinyl)oxy]-1,3-benzothiazol-2-yl]acetamide

C15H13N3O2S — CID 143091019

IUPACN-[4-[(4-methyl-2-pyridinyl)oxy]-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2c(Oc3cc(C)ccn3)cccc2s1
InChIInChI=1S/C15H13N3O2S/c1-9-6-7-16-13(8-9)20-11-4-3-5-12-14(11)18-15(21-12)17-10(2)19/h3-8H,1-2H3,(H,17,18,19)
InChIKeyMIHQBKMQVHLSJA-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.75
Rot. Bonds3

About N-[4-[(4-methyl-2-pyridinyl)oxy]-1,3-benzothiazol-2-yl]acetamide

N-[4-[(4-methyl-2-pyridinyl)oxy]-1,3-benzothiazol-2-yl]acetamide (PubChem CID 143091019) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is N-[4-[(4-methyl-2-pyridinyl)oxy]-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-methyl-2-pyridinyl)oxy]-1,3-benzothiazol-2-yl]acetamide
PubChem CID143091019
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC NameN-[4-[(4-methyl-2-pyridinyl)oxy]-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2c(Oc3cc(C)ccn3)cccc2s1
InChIInChI=1S/C15H13N3O2S/c1-9-6-7-16-13(8-9)20-11-4-3-5-12-14(11)18-15(21-12)17-10(2)19/h3-8H,1-2H3,(H,17,18,19)
InChIKeyMIHQBKMQVHLSJA-UHFFFAOYSA-N
XLogP3.75
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[(4-methyl-2-pyridinyl)oxy]-1,3-benzothiazol-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[6-[4-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxy-1,3-benzothiazol-2-yl]acetamide
CID 87588696
N-[4-[6-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxy-1,3-benzothiazol-2-yl]acetamide
CID 11317868
N-[4-[6-[4-[1-(5-chlorothiophen-2-yl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxy-1,3-benzothiazol-2-yl]acetamide
CID 11214473
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide
CID 3344551
N-[4-methoxy-6-[(3-methylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide
CID 46326028
(4-methoxy-1,3-benzothiazol-2-yl)urea
CID 22283036
1-(4-methoxy-1,3-benzothiazol-2-yl)-3-pyridin-2-ylurea
CID 110491929
N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide
CID 121028814
N-[2-[6-[(2-acetamido-1,3-benzothiazol-4-yl)oxy]pyrimidin-4-yl]-5-(trifluoromethyl)phenyl]-3-(dimethylamino)propanamide
CID 44580255
N-(4-methoxy-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
CID 43952233
N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanamide
CID 7544064
2-(2,6-dimethylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 19217838

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methyl-2-pyridinyl)oxy]-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of N-[4-[(4-methyl-2-pyridinyl)oxy]-1,3-benzothiazol-2-yl]acetamide (CID 143091019) is N-[4-[(4-methyl-2-pyridinyl)oxy]-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[(4-methyl-2-pyridinyl)oxy]-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[(4-methyl-2-pyridinyl)oxy]-1,3-benzothiazol-2-yl]acetamide is CC(=O)Nc1nc2c(Oc3cc(C)ccn3)cccc2s1.
What is the InChIKey of N-[4-[(4-methyl-2-pyridinyl)oxy]-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is MIHQBKMQVHLSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-9-6-7-16-13(8-9)20-11-4-3-5-12-14(11)18-15(21-12)17-10(2)19/h3-8H,1-2H3,(H,17,18,19).
What are the key properties of N-[4-[(4-methyl-2-pyridinyl)oxy]-1,3-benzothiazol-2-yl]acetamide?
N-[4-[(4-methyl-2-pyridinyl)oxy]-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 299.36 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methyl-2-pyridinyl)oxy]-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 143091019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).