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

C15H13FN6OS — CID 90877655

IUPACN-(6-fluoro-1,3-benzothiazol-2-yl)-2-(3-methyl-2H-purin-7-yl)acetamide
SMILESCN1CN=Cc2c1ncn2CC(=O)Nc1nc2ccc(F)cc2s1
InChIInChI=1S/C15H13FN6OS/c1-21-7-17-5-11-14(21)18-8-22(11)6-13(23)20-15-19-10-3-2-9(16)4-12(10)24-15/h2-5,8H,6-7H2,1H3,(H,19,20,23)
InChIKeyATPFIQQNDJBXTL-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.10
Rot. Bonds3

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

N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(3-methyl-2H-purin-7-yl)acetamide (PubChem CID 90877655) has the molecular formula C15H13FN6OS and a molecular weight of 344.38 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(3-methyl-2H-purin-7-yl)acetamide.

Molecular Properties

Compound NameN-(6-fluoro-1,3-benzothiazol-2-yl)-2-(3-methyl-2H-purin-7-yl)acetamide
PubChem CID90877655
Molecular FormulaC15H13FN6OS
Molecular Weight344.38 g/mol
Exact Mass344.09
IUPAC NameN-(6-fluoro-1,3-benzothiazol-2-yl)-2-(3-methyl-2H-purin-7-yl)acetamide
SMILESCN1CN=Cc2c1ncn2CC(=O)Nc1nc2ccc(F)cc2s1
InChIInChI=1S/C15H13FN6OS/c1-21-7-17-5-11-14(21)18-8-22(11)6-13(23)20-15-19-10-3-2-9(16)4-12(10)24-15/h2-5,8H,6-7H2,1H3,(H,19,20,23)
InChIKeyATPFIQQNDJBXTL-UHFFFAOYSA-N
XLogP2.10
TPSA75.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(1-methyl-6-oxopurin-7-yl)acetamide
CID 87424254
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 17440622
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)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 110881885
N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide
CID 17422636
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-bromo-1,3-benzothiazol-2-yl)-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide
CID 43952281
ethyl 2-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanylacetate
CID 42982352
3-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide
CID 7733374
3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide
CID 2694590
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 54466738
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-(3-methyl-2H-purin-7-yl)acetamide?
The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(3-methyl-2H-purin-7-yl)acetamide (CID 90877655) is N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(3-methyl-2H-purin-7-yl)acetamide.
What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(3-methyl-2H-purin-7-yl)acetamide?
The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(3-methyl-2H-purin-7-yl)acetamide is CN1CN=Cc2c1ncn2CC(=O)Nc1nc2ccc(F)cc2s1.
What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(3-methyl-2H-purin-7-yl)acetamide?
The InChIKey is ATPFIQQNDJBXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN6OS/c1-21-7-17-5-11-14(21)18-8-22(11)6-13(23)20-15-19-10-3-2-9(16)4-12(10)24-15/h2-5,8H,6-7H2,1H3,(H,19,20,23).
What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(3-methyl-2H-purin-7-yl)acetamide?
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(3-methyl-2H-purin-7-yl)acetamide has a molecular weight of 344.38 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(3-methyl-2H-purin-7-yl)acetamide is sourced from PubChem (CID 90877655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).