6-methyl-1-[1-[(5-methyl-6H-[1,2]thiazolo[4,5-c]pyridin-4-yl)sulfonyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one

C21H24N4O4S2 — CID 90800177

IUPAC6-methyl-1-[1-[(5-methyl-6H-[1,2]thiazolo[4,5-c]pyridin-4-yl)sulfonyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one
SMILESCc1ccc2c(c1)COC(=O)N2C1CCN(S(=O)(=O)C2=c3cnsc3=CCN2C)CC1
InChIInChI=1S/C21H24N4O4S2/c1-14-3-4-18-15(11-14)13-29-21(26)25(18)16-5-9-24(10-6-16)31(27,28)20-17-12-22-30-19(17)7-8-23(20)2/h3-4,7,11-12,16H,5-6,8-10,13H2,1-2H3
InChIKeyRWYUXVSFHKHIQR-UHFFFAOYSA-N
MW460.58 g/mol
LogP1.19
Rot. Bonds3

About 6-methyl-1-[1-[(5-methyl-6H-[1,2]thiazolo[4,5-c]pyridin-4-yl)sulfonyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one

6-methyl-1-[1-[(5-methyl-6H-[1,2]thiazolo[4,5-c]pyridin-4-yl)sulfonyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one (PubChem CID 90800177) has the molecular formula C21H24N4O4S2 and a molecular weight of 460.58 g/mol. Its IUPAC name is 6-methyl-1-[1-[(5-methyl-6H-[1,2]thiazolo[4,5-c]pyridin-4-yl)sulfonyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one.

Molecular Properties

Compound Name6-methyl-1-[1-[(5-methyl-6H-[1,2]thiazolo[4,5-c]pyridin-4-yl)sulfonyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one
PubChem CID90800177
Molecular FormulaC21H24N4O4S2
Molecular Weight460.58 g/mol
Exact Mass460.12
IUPAC Name6-methyl-1-[1-[(5-methyl-6H-[1,2]thiazolo[4,5-c]pyridin-4-yl)sulfonyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one
SMILESCc1ccc2c(c1)COC(=O)N2C1CCN(S(=O)(=O)C2=c3cnsc3=CCN2C)CC1
InChIInChI=1S/C21H24N4O4S2/c1-14-3-4-18-15(11-14)13-29-21(26)25(18)16-5-9-24(10-6-16)31(27,28)20-17-12-22-30-19(17)7-8-23(20)2/h3-4,7,11-12,16H,5-6,8-10,13H2,1-2H3
InChIKeyRWYUXVSFHKHIQR-UHFFFAOYSA-N
XLogP1.19
TPSA83.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-methyl-1-[1-[(5-methyl-6H-[1,2]thiazolo[4,5-c]pyridin-4-yl)sulfonyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one with MolForge

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Related Compounds

5-chloro-1-[1-[(5-methyl-6H-[1,2]thiazolo[4,5-c]pyridin-4-yl)sulfonyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one
CID 90719882
1-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one
CID 58792726
1-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one
CID 68525766
1-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one
CID 58792703
1-[1-[4-(4-iodophenoxy)phenyl]sulfonylpiperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one
CID 142998583
1-[1-[3-(1,1-difluoroethyl)phenyl]sulfonylpiperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one
CID 162580594
[3-[4-(6-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]sulfonylphenyl] hypochlorite
CID 142998730
6-methyl-1-[1-(4-methylnaphthalen-1-yl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one
CID 68525207
methyl 2-[4-(6-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]sulfonylbenzoate
CID 58792761
1-[1-[4-bromo-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one
CID 68527627
1-[1-(2-bromo-4,6-difluorophenyl)sulfonylpiperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one
CID 68529407
6-methyl-1-[1-(2-methyl-5-nitrophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one
CID 58792849

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[1-[(5-methyl-6H-[1,2]thiazolo[4,5-c]pyridin-4-yl)sulfonyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one?
The IUPAC name of 6-methyl-1-[1-[(5-methyl-6H-[1,2]thiazolo[4,5-c]pyridin-4-yl)sulfonyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one (CID 90800177) is 6-methyl-1-[1-[(5-methyl-6H-[1,2]thiazolo[4,5-c]pyridin-4-yl)sulfonyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one.
What is the SMILES notation for 6-methyl-1-[1-[(5-methyl-6H-[1,2]thiazolo[4,5-c]pyridin-4-yl)sulfonyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one?
The canonical SMILES for 6-methyl-1-[1-[(5-methyl-6H-[1,2]thiazolo[4,5-c]pyridin-4-yl)sulfonyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one is Cc1ccc2c(c1)COC(=O)N2C1CCN(S(=O)(=O)C2=c3cnsc3=CCN2C)CC1.
What is the InChIKey of 6-methyl-1-[1-[(5-methyl-6H-[1,2]thiazolo[4,5-c]pyridin-4-yl)sulfonyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one?
The InChIKey is RWYUXVSFHKHIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4S2/c1-14-3-4-18-15(11-14)13-29-21(26)25(18)16-5-9-24(10-6-16)31(27,28)20-17-12-22-30-19(17)7-8-23(20)2/h3-4,7,11-12,16H,5-6,8-10,13H2,1-2H3.
What are the key properties of 6-methyl-1-[1-[(5-methyl-6H-[1,2]thiazolo[4,5-c]pyridin-4-yl)sulfonyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one?
6-methyl-1-[1-[(5-methyl-6H-[1,2]thiazolo[4,5-c]pyridin-4-yl)sulfonyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one has a molecular weight of 460.58 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[1-[(5-methyl-6H-[1,2]thiazolo[4,5-c]pyridin-4-yl)sulfonyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one is sourced from PubChem (CID 90800177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).