N-(6-methoxy-1,3-benzothiazol-2-yl)-N-methyl-2-(4-pyridin-4-ylphenyl)acetamide

C22H19N3O2S — CID 58447774

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-N-methyl-2-(4-pyridin-4-ylphenyl)acetamide
SMILESCOc1ccc2nc(N(C)C(=O)Cc3ccc(-c4ccncc4)cc3)sc2c1
InChIInChI=1S/C22H19N3O2S/c1-25(22-24-19-8-7-18(27-2)14-20(19)28-22)21(26)13-15-3-5-16(6-4-15)17-9-11-23-12-10-17/h3-12,14H,13H2,1-2H3
InChIKeyZDSOEKYYIPFMBC-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.57
Rot. Bonds5

About N-(6-methoxy-1,3-benzothiazol-2-yl)-N-methyl-2-(4-pyridin-4-ylphenyl)acetamide

N-(6-methoxy-1,3-benzothiazol-2-yl)-N-methyl-2-(4-pyridin-4-ylphenyl)acetamide (PubChem CID 58447774) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-N-methyl-2-(4-pyridin-4-ylphenyl)acetamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-N-methyl-2-(4-pyridin-4-ylphenyl)acetamide
PubChem CID58447774
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-N-methyl-2-(4-pyridin-4-ylphenyl)acetamide
SMILESCOc1ccc2nc(N(C)C(=O)Cc3ccc(-c4ccncc4)cc3)sc2c1
InChIInChI=1S/C22H19N3O2S/c1-25(22-24-19-8-7-18(27-2)14-20(19)28-22)21(26)13-15-3-5-16(6-4-15)17-9-11-23-12-10-17/h3-12,14H,13H2,1-2H3
InChIKeyZDSOEKYYIPFMBC-UHFFFAOYSA-N
XLogP4.57
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyano-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 40481893
US10251893, Cpd 6
CID 46926811
6-Methoxy-N-(3-pyridinylmethyl)-2-benzothiazolamine
CID 834526
N-(4-ethoxybenzo[d]thiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide
CID 16032335
4-cyano-N-(4-methoxy-7-methylbenzo[d]thiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 40481904
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
N-[2-(Dimethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-YL)naphthalene-2-carboxamide hydrochloride
CID 24761864
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 770971
4-benzoyl-N-(6-methoxybenzo[d]thiazol-2-yl)benzamide
CID 1548163
N-(6-fluorobenzo[d]thiazol-2-yl)-3-phenoxy-N-(pyridin-3-ylmethyl)propanamide
CID 16032531
5-(6-methoxybenzo[d]thiazol-2-yl)-N,N-dimethylpyridin-2-amine
CID 24757878

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-N-methyl-2-(4-pyridin-4-ylphenyl)acetamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-N-methyl-2-(4-pyridin-4-ylphenyl)acetamide (CID 58447774) is N-(6-methoxy-1,3-benzothiazol-2-yl)-N-methyl-2-(4-pyridin-4-ylphenyl)acetamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-N-methyl-2-(4-pyridin-4-ylphenyl)acetamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-N-methyl-2-(4-pyridin-4-ylphenyl)acetamide is COc1ccc2nc(N(C)C(=O)Cc3ccc(-c4ccncc4)cc3)sc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-N-methyl-2-(4-pyridin-4-ylphenyl)acetamide?
The InChIKey is ZDSOEKYYIPFMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-25(22-24-19-8-7-18(27-2)14-20(19)28-22)21(26)13-15-3-5-16(6-4-15)17-9-11-23-12-10-17/h3-12,14H,13H2,1-2H3.
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-N-methyl-2-(4-pyridin-4-ylphenyl)acetamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)-N-methyl-2-(4-pyridin-4-ylphenyl)acetamide has a molecular weight of 389.48 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-N-methyl-2-(4-pyridin-4-ylphenyl)acetamide is sourced from PubChem (CID 58447774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).