N-(6-indazol-1-yl-1,3-benzothiazol-2-yl)acetamide

C16H12N4OS — CID 89420541

IUPACN-(6-indazol-1-yl-1,3-benzothiazol-2-yl)acetamide
SMILESCC(=O)Nc1nc2ccc(-n3ncc4ccccc43)cc2s1
InChIInChI=1S/C16H12N4OS/c1-10(21)18-16-19-13-7-6-12(8-15(13)22-16)20-14-5-3-2-4-11(14)9-17-20/h2-9H,1H3,(H,18,19,21)
InChIKeySCWWNZBERBEMAR-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.59
Rot. Bonds2

About N-(6-indazol-1-yl-1,3-benzothiazol-2-yl)acetamide

N-(6-indazol-1-yl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 89420541) has the molecular formula C16H12N4OS and a molecular weight of 308.37 g/mol. Its IUPAC name is N-(6-indazol-1-yl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(6-indazol-1-yl-1,3-benzothiazol-2-yl)acetamide
PubChem CID89420541
Molecular FormulaC16H12N4OS
Molecular Weight308.37 g/mol
Exact Mass308.07
IUPAC NameN-(6-indazol-1-yl-1,3-benzothiazol-2-yl)acetamide
SMILESCC(=O)Nc1nc2ccc(-n3ncc4ccccc43)cc2s1
InChIInChI=1S/C16H12N4OS/c1-10(21)18-16-19-13-7-6-12(8-15(13)22-16)20-14-5-3-2-4-11(14)9-17-20/h2-9H,1H3,(H,18,19,21)
InChIKeySCWWNZBERBEMAR-UHFFFAOYSA-N
XLogP3.59
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-acetamido-1,3-benzothiazole-6-carboxamide
CID 816956
N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 43952222
5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-phenylpyrazole-4-carboxamide
CID 108791910
N-(2-acetamido-1,3-benzothiazol-6-yl)-3-bromo-1-methylindole-2-carboxamide
CID 55970996
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 46290994
2-(2-acetamido-1,3-benzothiazol-6-yl)-N-benzylacetamide
CID 46289632
N-(6-chloro-1,3-benzothiazol-2-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108739126
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylquinoline-4-carboxamide
CID 60557428
N-(6-acetamido-1,3-benzothiazol-2-yl)-5-amino-1-methylpyrazole-4-carboxamide
CID 110452114
N-(6-acetamido-1,3-benzothiazol-2-yl)-3-methoxynaphthalene-2-carboxamide
CID 1092938
N-[6-[(2-chlorophenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide
CID 46325782
N-(6-azido-1,3-benzothiazol-2-yl)acetamide
CID 151985383

Frequently Asked Questions

What is the IUPAC name of N-(6-indazol-1-yl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of N-(6-indazol-1-yl-1,3-benzothiazol-2-yl)acetamide (CID 89420541) is N-(6-indazol-1-yl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for N-(6-indazol-1-yl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for N-(6-indazol-1-yl-1,3-benzothiazol-2-yl)acetamide is CC(=O)Nc1nc2ccc(-n3ncc4ccccc43)cc2s1.
What is the InChIKey of N-(6-indazol-1-yl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is SCWWNZBERBEMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4OS/c1-10(21)18-16-19-13-7-6-12(8-15(13)22-16)20-14-5-3-2-4-11(14)9-17-20/h2-9H,1H3,(H,18,19,21).
What are the key properties of N-(6-indazol-1-yl-1,3-benzothiazol-2-yl)acetamide?
N-(6-indazol-1-yl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 308.37 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-indazol-1-yl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 89420541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).