2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide

C17H15N5O2S — CID 166336255

IUPAC2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide
SMILESCc1cc2ncc(NC(=O)COCc3nc4ccccc4s3)cn2n1
InChIInChI=1S/C17H15N5O2S/c1-11-6-15-18-7-12(8-22(15)21-11)19-16(23)9-24-10-17-20-13-4-2-3-5-14(13)25-17/h2-8H,9-10H2,1H3,(H,19,23)
InChIKeyLUNNHKFKZZOHBQ-UHFFFAOYSA-N
MW353.41 g/mol
LogP2.80
Rot. Bonds5

About 2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide

2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide (PubChem CID 166336255) has the molecular formula C17H15N5O2S and a molecular weight of 353.41 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide
PubChem CID166336255
Molecular FormulaC17H15N5O2S
Molecular Weight353.41 g/mol
Exact Mass353.09
IUPAC Name2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide
SMILESCc1cc2ncc(NC(=O)COCc3nc4ccccc4s3)cn2n1
InChIInChI=1S/C17H15N5O2S/c1-11-6-15-18-7-12(8-22(15)21-11)19-16(23)9-24-10-17-20-13-4-2-3-5-14(13)25-17/h2-8H,9-10H2,1H3,(H,19,23)
InChIKeyLUNNHKFKZZOHBQ-UHFFFAOYSA-N
XLogP2.80
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(1,3-benzothiazol-2-yl)-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 166336252
N'-[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]-2-(3,5-dimethylpyrazol-1-yl)acetohydrazide
CID 9425052
2-(1,3-benzothiazol-2-ylmethoxy)-N-pyridin-3-ylacetamide
CID 31745788
N-[3-[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]-4-methylphenyl]propanamide
CID 46467466
2-(1,3-benzothiazol-2-ylmethoxy)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
CID 39969285
2-(1,3-benzothiazol-2-ylmethoxy)-N-[4-(cyanomethyl)phenyl]acetamide
CID 9261212
2-(1,3-benzothiazol-2-ylmethoxy)-N-(4-sulfamoylphenyl)acetamide
CID 9035089
2-(1,3-benzothiazol-2-ylmethoxy)-N-(4-piperidin-1-ylphenyl)acetamide
CID 7594237
2-(1,3-benzothiazol-2-ylmethoxy)-N-(5-butyl-1,3,4-thiadiazol-2-yl)acetamide
CID 24648096
2-(1,3-benzothiazol-2-ylmethoxy)-N'-(3,4-dichlorophenyl)acetohydrazide
CID 39966204
2-(1,3-benzothiazol-2-ylmethoxy)-N'-[2-(4-ethylphenoxy)acetyl]acetohydrazide
CID 9324359
2-(1,3-benzothiazol-2-ylmethoxy)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide
CID 9147578

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide (CID 166336255) is 2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide is Cc1cc2ncc(NC(=O)COCc3nc4ccccc4s3)cn2n1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
The InChIKey is LUNNHKFKZZOHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2S/c1-11-6-15-18-7-12(8-22(15)21-11)19-16(23)9-24-10-17-20-13-4-2-3-5-14(13)25-17/h2-8H,9-10H2,1H3,(H,19,23).
What are the key properties of 2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide has a molecular weight of 353.41 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 166336255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).