N-[(1R)-8-fluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-N-methyl-1,3-benzothiazole-5-carboxamide

C21H16FN3O3S — CID 166526851

IUPACN-[(1R)-8-fluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-N-methyl-1,3-benzothiazole-5-carboxamide
SMILESCN(C(=O)c1ccc2scnc2c1)[C@H]1COCc2[nH]c(=O)c3cc(F)ccc3c21
InChIInChI=1S/C21H16FN3O3S/c1-25(21(27)11-2-5-18-15(6-11)23-10-29-18)17-9-28-8-16-19(17)13-4-3-12(22)7-14(13)20(26)24-16/h2-7,10,17H,8-9H2,1H3,(H,24,26)/t17-/m0/s1
InChIKeyDDUJZSYQFFLZET-KRWDZBQOSA-N
MW409.44 g/mol
LogP3.62
Rot. Bonds2

About N-[(1R)-8-fluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-N-methyl-1,3-benzothiazole-5-carboxamide

N-[(1R)-8-fluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-N-methyl-1,3-benzothiazole-5-carboxamide (PubChem CID 166526851) has the molecular formula C21H16FN3O3S and a molecular weight of 409.44 g/mol. Its IUPAC name is N-[(1R)-8-fluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-N-methyl-1,3-benzothiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-8-fluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-N-methyl-1,3-benzothiazole-5-carboxamide
PubChem CID166526851
Molecular FormulaC21H16FN3O3S
Molecular Weight409.44 g/mol
Exact Mass409.09
IUPAC NameN-[(1R)-8-fluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-N-methyl-1,3-benzothiazole-5-carboxamide
SMILESCN(C(=O)c1ccc2scnc2c1)[C@H]1COCc2[nH]c(=O)c3cc(F)ccc3c21
InChIInChI=1S/C21H16FN3O3S/c1-25(21(27)11-2-5-18-15(6-11)23-10-29-18)17-9-28-8-16-19(17)13-4-3-12(22)7-14(13)20(26)24-16/h2-7,10,17H,8-9H2,1H3,(H,24,26)/t17-/m0/s1
InChIKeyDDUJZSYQFFLZET-KRWDZBQOSA-N
XLogP3.62
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R)-8-fluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-N-methyl-1,3-benzothiazole-5-carboxamide with MolForge

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Related Compounds

N-[(1R)-8-fluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-N-methylindolizine-6-carboxamide
CID 166526866
N-[(1S)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-4-(4-fluorophenoxy)-N-methylbenzamide
CID 166525975
N-[(1S)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-N-methyl-1,3-benzoxazole-6-carboxamide
CID 167525133
3-bromo-N-(8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)-4-fluoro-N-methylbenzamide
CID 166526199
N-[(1S)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-N-methylquinoline-6-carboxamide
CID 166526889
N-(9-fluoro-8-methyl-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)-N-methylquinoline-7-carboxamide
CID 175615132
N-[(1S)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-3-(4-fluorophenoxy)-N-methylbenzamide
CID 166526345
4-chloro-6-fluoro-N-[(1R)-8-fluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-N-methyl-1H-indole-2-carboxamide
CID 166526574
N-[(1S)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-3-(3-fluorophenyl)-N-methylbenzamide
CID 167525062
4-cyano-N-[(1R)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-3-fluoro-N-methylbenzamide
CID 166525974
N-[(1R)-8-fluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-N,4-dimethyl-1H-indole-2-carboxamide
CID 166526652
4-(difluoromethyl)-6-fluoro-N-(8-fluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)-N-methyl-1H-indole-2-carboxamide
CID 166526623

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-8-fluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-N-methyl-1,3-benzothiazole-5-carboxamide?
The IUPAC name of N-[(1R)-8-fluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-N-methyl-1,3-benzothiazole-5-carboxamide (CID 166526851) is N-[(1R)-8-fluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-N-methyl-1,3-benzothiazole-5-carboxamide.
What is the SMILES notation for N-[(1R)-8-fluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-N-methyl-1,3-benzothiazole-5-carboxamide?
The canonical SMILES for N-[(1R)-8-fluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-N-methyl-1,3-benzothiazole-5-carboxamide is CN(C(=O)c1ccc2scnc2c1)[C@H]1COCc2[nH]c(=O)c3cc(F)ccc3c21.
What is the InChIKey of N-[(1R)-8-fluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-N-methyl-1,3-benzothiazole-5-carboxamide?
The InChIKey is DDUJZSYQFFLZET-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H16FN3O3S/c1-25(21(27)11-2-5-18-15(6-11)23-10-29-18)17-9-28-8-16-19(17)13-4-3-12(22)7-14(13)20(26)24-16/h2-7,10,17H,8-9H2,1H3,(H,24,26)/t17-/m0/s1.
What are the key properties of N-[(1R)-8-fluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-N-methyl-1,3-benzothiazole-5-carboxamide?
N-[(1R)-8-fluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-N-methyl-1,3-benzothiazole-5-carboxamide has a molecular weight of 409.44 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-8-fluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-N-methyl-1,3-benzothiazole-5-carboxamide is sourced from PubChem (CID 166526851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).