2-[4-[[2-(4-butylanilino)-1,3-benzothiazol-5-yl]oxy]-2-pyridinyl]acetamide

C24H24N4O2S — CID 22041174

IUPAC2-[4-[[2-(4-butylanilino)-1,3-benzothiazol-5-yl]oxy]-2-pyridinyl]acetamide
SMILESCCCCc1ccc(Nc2nc3cc(Oc4ccnc(CC(N)=O)c4)ccc3s2)cc1
InChIInChI=1S/C24H24N4O2S/c1-2-3-4-16-5-7-17(8-6-16)27-24-28-21-15-19(9-10-22(21)31-24)30-20-11-12-26-18(13-20)14-23(25)29/h5-13,15H,2-4,14H2,1H3,(H2,25,29)(H,27,28)
InChIKeyXTADUIXCRACQAU-UHFFFAOYSA-N
MW432.55 g/mol
LogP5.60
Rot. Bonds9

About 2-[4-[[2-(4-butylanilino)-1,3-benzothiazol-5-yl]oxy]-2-pyridinyl]acetamide

2-[4-[[2-(4-butylanilino)-1,3-benzothiazol-5-yl]oxy]-2-pyridinyl]acetamide (PubChem CID 22041174) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is 2-[4-[[2-(4-butylanilino)-1,3-benzothiazol-5-yl]oxy]-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[4-[[2-(4-butylanilino)-1,3-benzothiazol-5-yl]oxy]-2-pyridinyl]acetamide
PubChem CID22041174
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC Name2-[4-[[2-(4-butylanilino)-1,3-benzothiazol-5-yl]oxy]-2-pyridinyl]acetamide
SMILESCCCCc1ccc(Nc2nc3cc(Oc4ccnc(CC(N)=O)c4)ccc3s2)cc1
InChIInChI=1S/C24H24N4O2S/c1-2-3-4-16-5-7-17(8-6-16)27-24-28-21-15-19(9-10-22(21)31-24)30-20-11-12-26-18(13-20)14-23(25)29/h5-13,15H,2-4,14H2,1H3,(H2,25,29)(H,27,28)
InChIKeyXTADUIXCRACQAU-UHFFFAOYSA-N
XLogP5.60
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.55
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[2-(4-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
CID 22041271
N-methyl-4-[[2-(4-methylanilino)-1,3-benzothiazol-5-yl]oxy]pyridine-2-carboxamide
CID 22040960
ethyl 2-[4-[2-(4-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetate
CID 159027962
2-(4-butylanilino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115423504
N-[5-[[2-(2-amino-2-oxoethyl)-4-pyridinyl]oxy]-1-methylbenzimidazol-2-yl]-4-(chloromethyl)benzamide
CID 22040957
N-[4-[[2-(3-tert-butylanilino)-1,3-benzothiazol-5-yl]oxy]-2-pyridinyl]-4-(dimethylamino)butanamide
CID 89172309
2-[4-[[2-(2-ethylanilino)-3H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide
CID 22041257
N-(4-butylphenyl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine
CID 88563814
N-(6-butyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide
CID 5162221
4-[[2-(4-bromoanilino)-1,3-benzothiazol-5-yl]oxy]-N-[(3R)-pyrrolidin-3-yl]pyridine-2-carboxamide
CID 21037089
4-[[2-(4-bromoanilino)-1,3-benzothiazol-5-yl]oxy]-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 21037243
1-methoxy-3-[4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
CID 161256236

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(4-butylanilino)-1,3-benzothiazol-5-yl]oxy]-2-pyridinyl]acetamide?
The IUPAC name of 2-[4-[[2-(4-butylanilino)-1,3-benzothiazol-5-yl]oxy]-2-pyridinyl]acetamide (CID 22041174) is 2-[4-[[2-(4-butylanilino)-1,3-benzothiazol-5-yl]oxy]-2-pyridinyl]acetamide.
What is the SMILES notation for 2-[4-[[2-(4-butylanilino)-1,3-benzothiazol-5-yl]oxy]-2-pyridinyl]acetamide?
The canonical SMILES for 2-[4-[[2-(4-butylanilino)-1,3-benzothiazol-5-yl]oxy]-2-pyridinyl]acetamide is CCCCc1ccc(Nc2nc3cc(Oc4ccnc(CC(N)=O)c4)ccc3s2)cc1.
What is the InChIKey of 2-[4-[[2-(4-butylanilino)-1,3-benzothiazol-5-yl]oxy]-2-pyridinyl]acetamide?
The InChIKey is XTADUIXCRACQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-2-3-4-16-5-7-17(8-6-16)27-24-28-21-15-19(9-10-22(21)31-24)30-20-11-12-26-18(13-20)14-23(25)29/h5-13,15H,2-4,14H2,1H3,(H2,25,29)(H,27,28).
What are the key properties of 2-[4-[[2-(4-butylanilino)-1,3-benzothiazol-5-yl]oxy]-2-pyridinyl]acetamide?
2-[4-[[2-(4-butylanilino)-1,3-benzothiazol-5-yl]oxy]-2-pyridinyl]acetamide has a molecular weight of 432.55 g/mol, XLogP of 5.60, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(4-butylanilino)-1,3-benzothiazol-5-yl]oxy]-2-pyridinyl]acetamide is sourced from PubChem (CID 22041174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).