N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methoxy-4-pyridinyl)phenyl]acetamide

C22H19N3O3S — CID 46927729

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methoxy-4-pyridinyl)phenyl]acetamide
SMILESCOc1ccc2nc(NC(=O)Cc3ccc(-c4ccnc(OC)c4)cc3)sc2c1
InChIInChI=1S/C22H19N3O3S/c1-27-17-7-8-18-19(13-17)29-22(24-18)25-20(26)11-14-3-5-15(6-4-14)16-9-10-23-21(12-16)28-2/h3-10,12-13H,11H2,1-2H3,(H,24,25,26)
InChIKeyGHLNVTPIKNRXQZ-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.56
Rot. Bonds6

About N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methoxy-4-pyridinyl)phenyl]acetamide

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methoxy-4-pyridinyl)phenyl]acetamide (PubChem CID 46927729) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methoxy-4-pyridinyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methoxy-4-pyridinyl)phenyl]acetamide
PubChem CID46927729
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methoxy-4-pyridinyl)phenyl]acetamide
SMILESCOc1ccc2nc(NC(=O)Cc3ccc(-c4ccnc(OC)c4)cc3)sc2c1
InChIInChI=1S/C22H19N3O3S/c1-27-17-7-8-18-19(13-17)29-22(24-18)25-20(26)11-14-3-5-15(6-4-14)16-9-10-23-21(12-16)28-2/h3-10,12-13H,11H2,1-2H3,(H,24,25,26)
InChIKeyGHLNVTPIKNRXQZ-UHFFFAOYSA-N
XLogP4.56
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
N-[6-(5,6-Dimethoxypyridin-3-Yl)-1,3-Benzothiazol-2-Yl]acetamide
CID 73659200
2-(3-Methoxyphenyl)-N-[4-(Pyridin-4-Yl)-1,3-Thiazol-2-Yl]acetamide
CID 4803142
N-[4-(2-aminopyridin-4-yl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 24832012
US10251893, Cpd 6
CID 46926811
2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 748071
4-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 750191
6-Methoxy-N-(3-pyridinylmethyl)-2-benzothiazolamine
CID 834526
N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 718830
N-(4-ethoxybenzo[d]thiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide
CID 16032335
N-(6-methoxybenzo[d]thiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide
CID 16032473
N-(6-methoxybenzo[d]thiazol-2-yl)-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 16032494

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methoxy-4-pyridinyl)phenyl]acetamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methoxy-4-pyridinyl)phenyl]acetamide (CID 46927729) is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methoxy-4-pyridinyl)phenyl]acetamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methoxy-4-pyridinyl)phenyl]acetamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methoxy-4-pyridinyl)phenyl]acetamide is COc1ccc2nc(NC(=O)Cc3ccc(-c4ccnc(OC)c4)cc3)sc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methoxy-4-pyridinyl)phenyl]acetamide?
The InChIKey is GHLNVTPIKNRXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c1-27-17-7-8-18-19(13-17)29-22(24-18)25-20(26)11-14-3-5-15(6-4-14)16-9-10-23-21(12-16)28-2/h3-10,12-13H,11H2,1-2H3,(H,24,25,26).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methoxy-4-pyridinyl)phenyl]acetamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methoxy-4-pyridinyl)phenyl]acetamide has a molecular weight of 405.48 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methoxy-4-pyridinyl)phenyl]acetamide is sourced from PubChem (CID 46927729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).