N-[5-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl]acetamide

C16H16N2O3S — CID 3129848

IUPACN-[5-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl]acetamide
SMILESCOc1ccc(C2CC(=O)c3sc(NC(C)=O)nc3C2)cc1
InChIInChI=1S/C16H16N2O3S/c1-9(19)17-16-18-13-7-11(8-14(20)15(13)22-16)10-3-5-12(21-2)6-4-10/h3-6,11H,7-8H2,1-2H3,(H,17,18,19)
InChIKeyHTNFNYKRUKYNPO-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.02
Rot. Bonds3

About N-[5-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl]acetamide

N-[5-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl]acetamide (PubChem CID 3129848) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[5-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl]acetamide
PubChem CID3129848
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC NameN-[5-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl]acetamide
SMILESCOc1ccc(C2CC(=O)c3sc(NC(C)=O)nc3C2)cc1
InChIInChI=1S/C16H16N2O3S/c1-9(19)17-16-18-13-7-11(8-14(20)15(13)22-16)10-3-5-12(21-2)6-4-10/h3-6,11H,7-8H2,1-2H3,(H,17,18,19)
InChIKeyHTNFNYKRUKYNPO-UHFFFAOYSA-N
XLogP3.02
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-acetyl-4-methyl(1,3-thiazol-2-yl))-4-(2-methylphenoxy)butanamide
CID 1637639
(2-Anilino-4-methyl-1,3-thiazol-5-yl)-(4-methoxyphenyl)methanone
CID 2814831
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)-2-(3-methoxyphenyl)acetamide
CID 3206747
2-{[3-(4-methoxyphenyl)propanoyl]amino}-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 4466078
2-amino-5-(4-methoxyphenyl)-5,6-dihydrobenzo[d]thiazol-7(4H)-one
CID 658381
N-[5-(4-methoxybenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide
CID 982689
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 2122608
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-phenoxypropanamide
CID 3152644
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-phenoxybutanamide
CID 3155114
3-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 3528738
Ethyl 2-[3-(4-methoxyphenyl)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 4385342
N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-ethoxybenzamide
CID 16016035

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of N-[5-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl]acetamide (CID 3129848) is N-[5-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for N-[5-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl]acetamide is COc1ccc(C2CC(=O)c3sc(NC(C)=O)nc3C2)cc1.
What is the InChIKey of N-[5-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is HTNFNYKRUKYNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-9(19)17-16-18-13-7-11(8-14(20)15(13)22-16)10-3-5-12(21-2)6-4-10/h3-6,11H,7-8H2,1-2H3,(H,17,18,19).
What are the key properties of N-[5-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl]acetamide?
N-[5-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 316.38 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 3129848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).