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

C15H13N3O2S — CID 24644824

IUPACN-(4-methyl-1,3-benzothiazol-2-yl)-2-(2-oxo-1-pyridinyl)acetamide
SMILESCc1cccc2sc(NC(=O)Cn3ccccc3=O)nc12
InChIInChI=1S/C15H13N3O2S/c1-10-5-4-6-11-14(10)17-15(21-11)16-12(19)9-18-8-3-2-7-13(18)20/h2-8H,9H2,1H3,(H,16,17,19)
InChIKeyKREAMLGRBKNNFR-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.41
Rot. Bonds3

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

N-(4-methyl-1,3-benzothiazol-2-yl)-2-(2-oxo-1-pyridinyl)acetamide (PubChem CID 24644824) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is N-(4-methyl-1,3-benzothiazol-2-yl)-2-(2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-benzothiazol-2-yl)-2-(2-oxo-1-pyridinyl)acetamide
PubChem CID24644824
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC NameN-(4-methyl-1,3-benzothiazol-2-yl)-2-(2-oxo-1-pyridinyl)acetamide
SMILESCc1cccc2sc(NC(=O)Cn3ccccc3=O)nc12
InChIInChI=1S/C15H13N3O2S/c1-10-5-4-6-11-14(10)17-15(21-11)16-12(19)9-18-8-3-2-7-13(18)20/h2-8H,9H2,1H3,(H,16,17,19)
InChIKeyKREAMLGRBKNNFR-UHFFFAOYSA-N
XLogP2.41
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 8571610
N-(4-methyl-1,3-benzothiazol-2-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
CID 7422977
2-benzylsulfanyl-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 2218666
N-(4-methyl-1,3-benzothiazol-2-yl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135650088
3-chloro-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
CID 12646557
2-(4-fluorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 2640845
N-(4-methyl-1,3-benzothiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 17017910
N-(4-methyl-1,3-benzothiazol-2-yl)octanamide
CID 42733003
2-(2,6-dichlorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 4042100
2-(1H-indol-3-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 2114847
2-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 43952367
N-(4-methyl-1,3-benzothiazol-2-yl)pyrrole-1-carbothioamide
CID 101405851

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-benzothiazol-2-yl)-2-(2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-(4-methyl-1,3-benzothiazol-2-yl)-2-(2-oxo-1-pyridinyl)acetamide (CID 24644824) is N-(4-methyl-1,3-benzothiazol-2-yl)-2-(2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-(4-methyl-1,3-benzothiazol-2-yl)-2-(2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-(4-methyl-1,3-benzothiazol-2-yl)-2-(2-oxo-1-pyridinyl)acetamide is Cc1cccc2sc(NC(=O)Cn3ccccc3=O)nc12.
What is the InChIKey of N-(4-methyl-1,3-benzothiazol-2-yl)-2-(2-oxo-1-pyridinyl)acetamide?
The InChIKey is KREAMLGRBKNNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-10-5-4-6-11-14(10)17-15(21-11)16-12(19)9-18-8-3-2-7-13(18)20/h2-8H,9H2,1H3,(H,16,17,19).
What are the key properties of N-(4-methyl-1,3-benzothiazol-2-yl)-2-(2-oxo-1-pyridinyl)acetamide?
N-(4-methyl-1,3-benzothiazol-2-yl)-2-(2-oxo-1-pyridinyl)acetamide has a molecular weight of 299.36 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-benzothiazol-2-yl)-2-(2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 24644824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).