5-[2-(2-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl]-2-methoxybenzenesulfonamide

C20H18FN3O4S2 — CID 95851700

IUPAC5-[2-(2-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(C(=O)N2CCc3nc(-c4ccccc4F)sc3C2)cc1S(N)(=O)=O
InChIInChI=1S/C20H18FN3O4S2/c1-28-16-7-6-12(10-18(16)30(22,26)27)20(25)24-9-8-15-17(11-24)29-19(23-15)13-4-2-3-5-14(13)21/h2-7,10H,8-9,11H2,1H3,(H2,22,26,27)
InChIKeySBAWXSPCIMMIGZ-UHFFFAOYSA-N
MW447.51 g/mol
LogP2.80
Rot. Bonds4

About 5-[2-(2-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl]-2-methoxybenzenesulfonamide

5-[2-(2-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl]-2-methoxybenzenesulfonamide (PubChem CID 95851700) has the molecular formula C20H18FN3O4S2 and a molecular weight of 447.51 g/mol. Its IUPAC name is 5-[2-(2-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-[2-(2-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl]-2-methoxybenzenesulfonamide
PubChem CID95851700
Molecular FormulaC20H18FN3O4S2
Molecular Weight447.51 g/mol
Exact Mass447.07
IUPAC Name5-[2-(2-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(C(=O)N2CCc3nc(-c4ccccc4F)sc3C2)cc1S(N)(=O)=O
InChIInChI=1S/C20H18FN3O4S2/c1-28-16-7-6-12(10-18(16)30(22,26)27)20(25)24-9-8-15-17(11-24)29-19(23-15)13-4-2-3-5-14(13)21/h2-7,10H,8-9,11H2,1H3,(H2,22,26,27)
InChIKeySBAWXSPCIMMIGZ-UHFFFAOYSA-N
XLogP2.80
TPSA102.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-phenylmethanone
CID 50770228
(3-fluorophenyl)-[2-(4-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
CID 50770226
methyl 5-(2-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate
CID 66609439
3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[2-(2-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one
CID 92628833
(3-fluoro-4-methoxyphenyl)-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 139461134
benzyl 2-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 122461098
ethyl N-[5-(naphthalene-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90527889
[2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(thiadiazol-4-yl)methanone
CID 92628891
ethyl N-[5-(3-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90527862
benzyl 2-sulfamoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 22406958
2-(3,4-dimethoxyphenyl)-5-(5-fluoro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 53060480
5-(3,4-dimethoxyphenyl)sulfonyl-2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 53060492

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-[2-(2-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl]-2-methoxybenzenesulfonamide (CID 95851700) is 5-[2-(2-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-[2-(2-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-[2-(2-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl]-2-methoxybenzenesulfonamide is COc1ccc(C(=O)N2CCc3nc(-c4ccccc4F)sc3C2)cc1S(N)(=O)=O.
What is the InChIKey of 5-[2-(2-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl]-2-methoxybenzenesulfonamide?
The InChIKey is SBAWXSPCIMMIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O4S2/c1-28-16-7-6-12(10-18(16)30(22,26)27)20(25)24-9-8-15-17(11-24)29-19(23-15)13-4-2-3-5-14(13)21/h2-7,10H,8-9,11H2,1H3,(H2,22,26,27).
What are the key properties of 5-[2-(2-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl]-2-methoxybenzenesulfonamide?
5-[2-(2-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl]-2-methoxybenzenesulfonamide has a molecular weight of 447.51 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 95851700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).