N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(1-methyl-6-oxopurin-7-yl)acetamide

C15H11FN6O2S — CID 87424254

IUPACN-(6-fluoro-1,3-benzothiazol-2-yl)-2-(1-methyl-6-oxopurin-7-yl)acetamide
SMILESCn1cnc2ncn(CC(=O)Nc3nc4ccc(F)cc4s3)c2c1=O
InChIInChI=1S/C15H11FN6O2S/c1-21-6-17-13-12(14(21)24)22(7-18-13)5-11(23)20-15-19-9-3-2-8(16)4-10(9)25-15/h2-4,6-7H,5H2,1H3,(H,19,20,23)
InChIKeyBCUVNDZPRZYPKP-UHFFFAOYSA-N
MW358.36 g/mol
LogP1.52
Rot. Bonds3

About N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(1-methyl-6-oxopurin-7-yl)acetamide

N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(1-methyl-6-oxopurin-7-yl)acetamide (PubChem CID 87424254) 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-6-oxopurin-7-yl)acetamide.

Molecular Properties

Compound NameN-(6-fluoro-1,3-benzothiazol-2-yl)-2-(1-methyl-6-oxopurin-7-yl)acetamide
PubChem CID87424254
Molecular FormulaC15H11FN6O2S
Molecular Weight358.36 g/mol
Exact Mass358.06
IUPAC NameN-(6-fluoro-1,3-benzothiazol-2-yl)-2-(1-methyl-6-oxopurin-7-yl)acetamide
SMILESCn1cnc2ncn(CC(=O)Nc3nc4ccc(F)cc4s3)c2c1=O
InChIInChI=1S/C15H11FN6O2S/c1-21-6-17-13-12(14(21)24)22(7-18-13)5-11(23)20-15-19-9-3-2-8(16)4-10(9)25-15/h2-4,6-7H,5H2,1H3,(H,19,20,23)
InChIKeyBCUVNDZPRZYPKP-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-(5-methoxy-6-methyl-1,3-benzothiazol-2-yl)-2-(1-methyl-6-oxopurin-7-yl)acetamide
CID 88569820
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 17440622
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(3-methyl-2H-purin-7-yl)acetamide
CID 90877655
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 108806521
N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide
CID 17422636
N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide
CID 43952281
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2701434
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 110881885
2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 4545064
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 78826947
ethyl 2-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanylacetate
CID 42982352
2-bromo-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 17244819

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(1-methyl-6-oxopurin-7-yl)acetamide?
The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(1-methyl-6-oxopurin-7-yl)acetamide (CID 87424254) is N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(1-methyl-6-oxopurin-7-yl)acetamide.
What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(1-methyl-6-oxopurin-7-yl)acetamide?
The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(1-methyl-6-oxopurin-7-yl)acetamide is Cn1cnc2ncn(CC(=O)Nc3nc4ccc(F)cc4s3)c2c1=O.
What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(1-methyl-6-oxopurin-7-yl)acetamide?
The InChIKey is BCUVNDZPRZYPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN6O2S/c1-21-6-17-13-12(14(21)24)22(7-18-13)5-11(23)20-15-19-9-3-2-8(16)4-10(9)25-15/h2-4,6-7H,5H2,1H3,(H,19,20,23).
What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(1-methyl-6-oxopurin-7-yl)acetamide?
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(1-methyl-6-oxopurin-7-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-6-oxopurin-7-yl)acetamide is sourced from PubChem (CID 87424254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).