N-[5-(furan-2-yl)-2-(piperidine-1-carbonyl)phenyl]-[1,2]thiazolo[4,5-c]pyridine-4-sulfonamide

C22H20N4O4S2 — CID 91580605

IUPACN-[5-(furan-2-yl)-2-(piperidine-1-carbonyl)phenyl]-[1,2]thiazolo[4,5-c]pyridine-4-sulfonamide
SMILESO=C(c1ccc(-c2ccco2)cc1NS(=O)(=O)c1nccc2sncc12)N1CCCCC1
InChIInChI=1S/C22H20N4O4S2/c27-22(26-10-2-1-3-11-26)16-7-6-15(19-5-4-12-30-19)13-18(16)25-32(28,29)21-17-14-24-31-20(17)8-9-23-21/h4-9,12-14,25H,1-3,10-11H2
InChIKeyUXKFBPWGBROIDH-UHFFFAOYSA-N
MW468.56 g/mol
LogP4.38
Rot. Bonds5

About N-[5-(furan-2-yl)-2-(piperidine-1-carbonyl)phenyl]-[1,2]thiazolo[4,5-c]pyridine-4-sulfonamide

N-[5-(furan-2-yl)-2-(piperidine-1-carbonyl)phenyl]-[1,2]thiazolo[4,5-c]pyridine-4-sulfonamide (PubChem CID 91580605) has the molecular formula C22H20N4O4S2 and a molecular weight of 468.56 g/mol. Its IUPAC name is N-[5-(furan-2-yl)-2-(piperidine-1-carbonyl)phenyl]-[1,2]thiazolo[4,5-c]pyridine-4-sulfonamide.

Molecular Properties

Compound NameN-[5-(furan-2-yl)-2-(piperidine-1-carbonyl)phenyl]-[1,2]thiazolo[4,5-c]pyridine-4-sulfonamide
PubChem CID91580605
Molecular FormulaC22H20N4O4S2
Molecular Weight468.56 g/mol
Exact Mass468.09
IUPAC NameN-[5-(furan-2-yl)-2-(piperidine-1-carbonyl)phenyl]-[1,2]thiazolo[4,5-c]pyridine-4-sulfonamide
SMILESO=C(c1ccc(-c2ccco2)cc1NS(=O)(=O)c1nccc2sncc12)N1CCCCC1
InChIInChI=1S/C22H20N4O4S2/c27-22(26-10-2-1-3-11-26)16-7-6-15(19-5-4-12-30-19)13-18(16)25-32(28,29)21-17-14-24-31-20(17)8-9-23-21/h4-9,12-14,25H,1-3,10-11H2
InChIKeyUXKFBPWGBROIDH-UHFFFAOYSA-N
XLogP4.38
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4,5-dibromo-2-(piperidine-1-carbonyl)phenyl]-[1,2]thiazolo[4,5-c]pyridine-4-sulfonamide
CID 91023694
3-([1,2]thiazolo[4,5-c]pyridin-4-ylsulfonylamino)naphthalene-2-carboxylic acid
CID 91001172
N-[(2,6-dichlorophenyl)methyl]-4-iodo-2-([1,2]thiazolo[4,5-c]pyridin-4-ylsulfonylamino)benzamide
CID 91544023
(5E)-5-aminosulfanylimino-N-[5-(furan-2-yl)-2-(piperidine-1-carbonyl)phenyl]cyclohexa-1,3-diene-1-sulfinamide
CID 142996080
N-[1-(4-bromophenyl)ethyl]-4-chloro-2-([1,2]thiazolo[4,5-c]pyridin-4-ylsulfonylamino)benzamide
CID 91059829
N-[5-amino-2-(piperidine-1-carbonyl)phenyl]-1,3-thiazole-4-sulfonamide
CID 158101375
N-[2-(azepane-1-carbonyl)-5-bromophenyl]quinoxaline-5-sulfonamide
CID 11752167
N-[2-(azepane-1-carbonyl)-5-iodophenyl]quinoxaline-5-sulfonamide
CID 11444027
N-[5-iodo-2-(piperidine-1-carbonyl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 11353036
3-(3-bromo-4-fluorophenyl)-2-[[4-iodo-2-([1,2]thiazolo[4,5-c]pyridin-4-ylsulfonylamino)benzoyl]amino]propanoic acid
CID 75283320
(4-bromo-2-hydroxyphenyl)-piperidin-1-ylmethanone
CID 47080583
N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-3,4-dihydronaphthalene-2-sulfonamide
CID 46483857

Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-2-yl)-2-(piperidine-1-carbonyl)phenyl]-[1,2]thiazolo[4,5-c]pyridine-4-sulfonamide?
The IUPAC name of N-[5-(furan-2-yl)-2-(piperidine-1-carbonyl)phenyl]-[1,2]thiazolo[4,5-c]pyridine-4-sulfonamide (CID 91580605) is N-[5-(furan-2-yl)-2-(piperidine-1-carbonyl)phenyl]-[1,2]thiazolo[4,5-c]pyridine-4-sulfonamide.
What is the SMILES notation for N-[5-(furan-2-yl)-2-(piperidine-1-carbonyl)phenyl]-[1,2]thiazolo[4,5-c]pyridine-4-sulfonamide?
The canonical SMILES for N-[5-(furan-2-yl)-2-(piperidine-1-carbonyl)phenyl]-[1,2]thiazolo[4,5-c]pyridine-4-sulfonamide is O=C(c1ccc(-c2ccco2)cc1NS(=O)(=O)c1nccc2sncc12)N1CCCCC1.
What is the InChIKey of N-[5-(furan-2-yl)-2-(piperidine-1-carbonyl)phenyl]-[1,2]thiazolo[4,5-c]pyridine-4-sulfonamide?
The InChIKey is UXKFBPWGBROIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4S2/c27-22(26-10-2-1-3-11-26)16-7-6-15(19-5-4-12-30-19)13-18(16)25-32(28,29)21-17-14-24-31-20(17)8-9-23-21/h4-9,12-14,25H,1-3,10-11H2.
What are the key properties of N-[5-(furan-2-yl)-2-(piperidine-1-carbonyl)phenyl]-[1,2]thiazolo[4,5-c]pyridine-4-sulfonamide?
N-[5-(furan-2-yl)-2-(piperidine-1-carbonyl)phenyl]-[1,2]thiazolo[4,5-c]pyridine-4-sulfonamide has a molecular weight of 468.56 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(furan-2-yl)-2-(piperidine-1-carbonyl)phenyl]-[1,2]thiazolo[4,5-c]pyridine-4-sulfonamide is sourced from PubChem (CID 91580605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).