N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide

C15H11FN6O2S — CID 17440622

IUPACN-(6-fluoro-1,3-benzothiazol-2-yl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESCn1ncc2c(=O)n(CC(=O)Nc3nc4ccc(F)cc4s3)cnc21
InChIInChI=1S/C15H11FN6O2S/c1-21-13-9(5-18-21)14(24)22(7-17-13)6-12(23)20-15-19-10-3-2-8(16)4-11(10)25-15/h2-5,7H,6H2,1H3,(H,19,20,23)
InChIKeyDWSAKBQTWOOCKV-UHFFFAOYSA-N
MW358.36 g/mol
LogP1.52
Rot. Bonds3

About N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide

N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide (PubChem CID 17440622) has the molecular formula C15H11FN6O2S and a molecular weight of 358.36 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(6-fluoro-1,3-benzothiazol-2-yl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
PubChem CID17440622
Molecular FormulaC15H11FN6O2S
Molecular Weight358.36 g/mol
Exact Mass358.06
IUPAC NameN-(6-fluoro-1,3-benzothiazol-2-yl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESCn1ncc2c(=O)n(CC(=O)Nc3nc4ccc(F)cc4s3)cnc21
InChIInChI=1S/C15H11FN6O2S/c1-21-13-9(5-18-21)14(24)22(7-17-13)6-12(23)20-15-19-10-3-2-8(16)4-11(10)25-15/h2-5,7H,6H2,1H3,(H,19,20,23)
InChIKeyDWSAKBQTWOOCKV-UHFFFAOYSA-N
XLogP1.52
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(1-methyl-6-oxopurin-7-yl)acetamide
CID 87424254
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 16594435
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(3-methyl-2H-purin-7-yl)acetamide
CID 90877655
N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide
CID 17422636
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2701434
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 46581458
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1-methylpyrazol-3-yl)acetamide
CID 18152736
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 17488493
N-(3-chloro-4-methylphenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 17416732
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 108806521
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetohydrazide
CID 19616734
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 42187032

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide (CID 17440622) is N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide is Cn1ncc2c(=O)n(CC(=O)Nc3nc4ccc(F)cc4s3)cnc21.
What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The InChIKey is DWSAKBQTWOOCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN6O2S/c1-21-13-9(5-18-21)14(24)22(7-17-13)6-12(23)20-15-19-10-3-2-8(16)4-11(10)25-15/h2-5,7H,6H2,1H3,(H,19,20,23).
What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide has a molecular weight of 358.36 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide is sourced from PubChem (CID 17440622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).