N-(4,6-dimethyl-2-pyridinyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide

C16H15N3O2S — CID 10567177

IUPACN-(4,6-dimethyl-2-pyridinyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
SMILESCc1cc(C)nc(NC(=O)Cn2c(=O)sc3ccccc32)c1
InChIInChI=1S/C16H15N3O2S/c1-10-7-11(2)17-14(8-10)18-15(20)9-19-12-5-3-4-6-13(12)22-16(19)21/h3-8H,9H2,1-2H3,(H,17,18,20)
InChIKeyRWBAOHHOGMQLHS-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.71
Rot. Bonds3

About N-(4,6-dimethyl-2-pyridinyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide

N-(4,6-dimethyl-2-pyridinyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide (PubChem CID 10567177) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-pyridinyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-pyridinyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
PubChem CID10567177
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN-(4,6-dimethyl-2-pyridinyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
SMILESCc1cc(C)nc(NC(=O)Cn2c(=O)sc3ccccc32)c1
InChIInChI=1S/C16H15N3O2S/c1-10-7-11(2)17-14(8-10)18-15(20)9-19-12-5-3-4-6-13(12)22-16(19)21/h3-8H,9H2,1-2H3,(H,17,18,20)
InChIKeyRWBAOHHOGMQLHS-UHFFFAOYSA-N
XLogP2.71
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 71983669
2-(2-oxo-1,3-benzothiazol-3-yl)-N-phenylacetamide
CID 705122
2-(2-oxo-1,3-benzothiazol-3-yl)-N-pyridin-3-ylacetamide
CID 22423087
N-(2-methoxyphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 1081529
methyl 4-[[2-(2-oxo-1,3-benzothiazol-3-yl)acetyl]amino]benzoate
CID 22423105
(3,5-dimethylphenyl) 2-(2-oxo-1,3-benzothiazol-3-yl)acetate
CID 3371314
N-(2,4-difluorophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 1096308
N-(2,4-dichlorophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 990869
N-(5-chloro-2-methoxyphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 752445
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 644429
2-(2-oxo-1,3-benzothiazol-3-yl)-N-piperidin-1-ylacetamide
CID 14221224
2-(2-methylindol-1-yl)-N-(6-methyl-2-pyridinyl)acetamide
CID 4173283

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
The IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide (CID 10567177) is N-(4,6-dimethyl-2-pyridinyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide.
What is the SMILES notation for N-(4,6-dimethyl-2-pyridinyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
The canonical SMILES for N-(4,6-dimethyl-2-pyridinyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide is Cc1cc(C)nc(NC(=O)Cn2c(=O)sc3ccccc32)c1.
What is the InChIKey of N-(4,6-dimethyl-2-pyridinyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
The InChIKey is RWBAOHHOGMQLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-10-7-11(2)17-14(8-10)18-15(20)9-19-12-5-3-4-6-13(12)22-16(19)21/h3-8H,9H2,1-2H3,(H,17,18,20).
What are the key properties of N-(4,6-dimethyl-2-pyridinyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
N-(4,6-dimethyl-2-pyridinyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide has a molecular weight of 313.38 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-pyridinyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide is sourced from PubChem (CID 10567177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).