2-anilino-N-(8-methyl-7H-pyrazolo[3,4-g][1,3]benzothiazol-2-yl)acetamide

C17H15N5OS — CID 88980295

IUPAC2-anilino-N-(8-methyl-7H-pyrazolo[3,4-g][1,3]benzothiazol-2-yl)acetamide
SMILESCc1[nH]nc2ccc3nc(NC(=O)CNc4ccccc4)sc3c12
InChIInChI=1S/C17H15N5OS/c1-10-15-12(22-21-10)7-8-13-16(15)24-17(19-13)20-14(23)9-18-11-5-3-2-4-6-11/h2-8,18H,9H2,1H3,(H,21,22)(H,19,20,23)
InChIKeyJZKYXLMGWMSLDG-UHFFFAOYSA-N
MW337.41 g/mol
LogP3.53
Rot. Bonds4

About 2-anilino-N-(8-methyl-7H-pyrazolo[3,4-g][1,3]benzothiazol-2-yl)acetamide

2-anilino-N-(8-methyl-7H-pyrazolo[3,4-g][1,3]benzothiazol-2-yl)acetamide (PubChem CID 88980295) has the molecular formula C17H15N5OS and a molecular weight of 337.41 g/mol. Its IUPAC name is 2-anilino-N-(8-methyl-7H-pyrazolo[3,4-g][1,3]benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-anilino-N-(8-methyl-7H-pyrazolo[3,4-g][1,3]benzothiazol-2-yl)acetamide
PubChem CID88980295
Molecular FormulaC17H15N5OS
Molecular Weight337.41 g/mol
Exact Mass337.10
IUPAC Name2-anilino-N-(8-methyl-7H-pyrazolo[3,4-g][1,3]benzothiazol-2-yl)acetamide
SMILESCc1[nH]nc2ccc3nc(NC(=O)CNc4ccccc4)sc3c12
InChIInChI=1S/C17H15N5OS/c1-10-15-12(22-21-10)7-8-13-16(15)24-17(19-13)20-14(23)9-18-11-5-3-2-4-6-11/h2-8,18H,9H2,1H3,(H,21,22)(H,19,20,23)
InChIKeyJZKYXLMGWMSLDG-UHFFFAOYSA-N
XLogP3.53
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-anilino-N-[2-[(2-anilinoacetyl)amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide
CID 15179987
2-anilino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 103607106
N-(1,3-benzothiazol-2-yl)-2-(tert-butylamino)acetamide
CID 47840976
2-anilino-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 60860935
N-benzo[g][1,3]benzothiazol-2-ylbutanamide
CID 5054800
N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)-2-phenylacetamide
CID 5085616
N-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]propanamide
CID 47412721
2-anilino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]acetamide
CID 119891864
N-(1,3-benzothiazol-2-yl)-2-[[5-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 28691518
3-(benzenesulfonyl)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)propanamide
CID 18560845
2-(4-methoxyanilino)-N-phenylacetamide
CID 7636829
N-(1,3-benzothiazol-2-yl)-3,3-dimethylbutanamide
CID 710830

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(8-methyl-7H-pyrazolo[3,4-g][1,3]benzothiazol-2-yl)acetamide?
The IUPAC name of 2-anilino-N-(8-methyl-7H-pyrazolo[3,4-g][1,3]benzothiazol-2-yl)acetamide (CID 88980295) is 2-anilino-N-(8-methyl-7H-pyrazolo[3,4-g][1,3]benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-anilino-N-(8-methyl-7H-pyrazolo[3,4-g][1,3]benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-anilino-N-(8-methyl-7H-pyrazolo[3,4-g][1,3]benzothiazol-2-yl)acetamide is Cc1[nH]nc2ccc3nc(NC(=O)CNc4ccccc4)sc3c12.
What is the InChIKey of 2-anilino-N-(8-methyl-7H-pyrazolo[3,4-g][1,3]benzothiazol-2-yl)acetamide?
The InChIKey is JZKYXLMGWMSLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5OS/c1-10-15-12(22-21-10)7-8-13-16(15)24-17(19-13)20-14(23)9-18-11-5-3-2-4-6-11/h2-8,18H,9H2,1H3,(H,21,22)(H,19,20,23).
What are the key properties of 2-anilino-N-(8-methyl-7H-pyrazolo[3,4-g][1,3]benzothiazol-2-yl)acetamide?
2-anilino-N-(8-methyl-7H-pyrazolo[3,4-g][1,3]benzothiazol-2-yl)acetamide has a molecular weight of 337.41 g/mol, XLogP of 3.53, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(8-methyl-7H-pyrazolo[3,4-g][1,3]benzothiazol-2-yl)acetamide is sourced from PubChem (CID 88980295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).