N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-phenylacetamide

C17H16N2O3S — CID 4557888

IUPACN-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-phenylacetamide
SMILESCOc1cc(OC)c2nc(NC(=O)Cc3ccccc3)sc2c1
InChIInChI=1S/C17H16N2O3S/c1-21-12-9-13(22-2)16-14(10-12)23-17(19-16)18-15(20)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,18,19,20)
InChIKeyCMDKDYYZQRQADO-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.49
Rot. Bonds5

About N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-phenylacetamide

N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-phenylacetamide (PubChem CID 4557888) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-phenylacetamide
PubChem CID4557888
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC NameN-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-phenylacetamide
SMILESCOc1cc(OC)c2nc(NC(=O)Cc3ccccc3)sc2c1
InChIInChI=1S/C17H16N2O3S/c1-21-12-9-13(22-2)16-14(10-12)23-17(19-16)18-15(20)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,18,19,20)
InChIKeyCMDKDYYZQRQADO-UHFFFAOYSA-N
XLogP3.49
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide
CID 3324697
N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 43953260
2-(1-adamantyl)-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide
CID 3320043
2-(4-chloro-2-methylphenoxy)-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide
CID 3301684
N-benzo[e][1,3]benzothiazol-2-yl-2-(4-methoxyphenyl)acetamide
CID 7742065
2-(3-fluorophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 51185209
N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]acetamide
CID 3297361
N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzohydrazide
CID 43953280
2-(4-acetamidophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 17415551
N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)furan-2-carbohydrazide
CID 43953269
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)acetamide
CID 16911522
N-(4-methoxy-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)propanamide
CID 24564610

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-phenylacetamide?
The IUPAC name of N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-phenylacetamide (CID 4557888) is N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-phenylacetamide.
What is the SMILES notation for N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-phenylacetamide?
The canonical SMILES for N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-phenylacetamide is COc1cc(OC)c2nc(NC(=O)Cc3ccccc3)sc2c1.
What is the InChIKey of N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-phenylacetamide?
The InChIKey is CMDKDYYZQRQADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-21-12-9-13(22-2)16-14(10-12)23-17(19-16)18-15(20)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,18,19,20).
What are the key properties of N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-phenylacetamide?
N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-phenylacetamide has a molecular weight of 328.39 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-phenylacetamide is sourced from PubChem (CID 4557888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).