N-[5-(3,5-difluorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide

C17H17F2N3O3S2 — CID 90531483

IUPACN-[5-(3,5-difluorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
SMILESO=C(Nc1nc2c(s1)CN(S(=O)(=O)c1cc(F)cc(F)c1)CC2)C1CCC1
InChIInChI=1S/C17H17F2N3O3S2/c18-11-6-12(19)8-13(7-11)27(24,25)22-5-4-14-15(9-22)26-17(20-14)21-16(23)10-2-1-3-10/h6-8,10H,1-5,9H2,(H,20,21,23)
InChIKeyUPSLHGZISGODMD-UHFFFAOYSA-N
MW413.47 g/mol
LogP2.91
Rot. Bonds4

About N-[5-(3,5-difluorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide

N-[5-(3,5-difluorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide (PubChem CID 90531483) has the molecular formula C17H17F2N3O3S2 and a molecular weight of 413.47 g/mol. Its IUPAC name is N-[5-(3,5-difluorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[5-(3,5-difluorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
PubChem CID90531483
Molecular FormulaC17H17F2N3O3S2
Molecular Weight413.47 g/mol
Exact Mass413.07
IUPAC NameN-[5-(3,5-difluorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
SMILESO=C(Nc1nc2c(s1)CN(S(=O)(=O)c1cc(F)cc(F)c1)CC2)C1CCC1
InChIInChI=1S/C17H17F2N3O3S2/c18-11-6-12(19)8-13(7-11)27(24,25)22-5-4-14-15(9-22)26-17(20-14)21-16(23)10-2-1-3-10/h6-8,10H,1-5,9H2,(H,20,21,23)
InChIKeyUPSLHGZISGODMD-UHFFFAOYSA-N
XLogP2.91
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclohexanecarboxamide
CID 50832310
N-[5-(2,5-dimethoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
CID 90531434
N-[5-[(3-fluorophenyl)methylsulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide
CID 71788005
N-[5-[2-(2,6-dioxopiperidin-1-yl)ethylsulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
CID 90531446
N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 90533073
N-[5-[3,5-bis(trifluoromethyl)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
CID 90531135
N-[5-(cyclohexanecarbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
CID 90531084
N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-cyclopentylacetamide
CID 50832495
N-[5-(2-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
CID 90531115
1-methylsulfonyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-4-carboxamide
CID 90532801
N-[5-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
CID 90531360
N-(5-propanoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclobutanecarboxamide
CID 90531074

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-difluorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide?
The IUPAC name of N-[5-(3,5-difluorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide (CID 90531483) is N-[5-(3,5-difluorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[5-(3,5-difluorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[5-(3,5-difluorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide is O=C(Nc1nc2c(s1)CN(S(=O)(=O)c1cc(F)cc(F)c1)CC2)C1CCC1.
What is the InChIKey of N-[5-(3,5-difluorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide?
The InChIKey is UPSLHGZISGODMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O3S2/c18-11-6-12(19)8-13(7-11)27(24,25)22-5-4-14-15(9-22)26-17(20-14)21-16(23)10-2-1-3-10/h6-8,10H,1-5,9H2,(H,20,21,23).
What are the key properties of N-[5-(3,5-difluorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide?
N-[5-(3,5-difluorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide has a molecular weight of 413.47 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-difluorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide is sourced from PubChem (CID 90531483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).