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

C20H21ClN4O4S2 — CID 90719882

IUPAC5-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
SMILESCN1CC=c2sncc2=C1S(=O)(=O)N1CCC(N2C(=O)OCc3c(Cl)cccc32)CC1
InChIInChI=1S/C20H21ClN4O4S2/c1-23-8-7-18-14(11-22-30-18)19(23)31(27,28)24-9-5-13(6-10-24)25-17-4-2-3-16(21)15(17)12-29-20(25)26/h2-4,7,11,13H,5-6,8-10,12H2,1H3
InChIKeyPLPKDZPKVRJBPK-UHFFFAOYSA-N
MW481.00 g/mol
LogP1.54
Rot. Bonds3

About 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

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 (PubChem CID 90719882) has the molecular formula C20H21ClN4O4S2 and a molecular weight of 481.00 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID90719882
Molecular FormulaC20H21ClN4O4S2
Molecular Weight481.00 g/mol
Exact Mass480.07
IUPAC Name5-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
SMILESCN1CC=c2sncc2=C1S(=O)(=O)N1CCC(N2C(=O)OCc3c(Cl)cccc32)CC1
InChIInChI=1S/C20H21ClN4O4S2/c1-23-8-7-18-14(11-22-30-18)19(23)31(27,28)24-9-5-13(6-10-24)25-17-4-2-3-16(21)15(17)12-29-20(25)26/h2-4,7,11,13H,5-6,8-10,12H2,1H3
InChIKeyPLPKDZPKVRJBPK-UHFFFAOYSA-N
XLogP1.54
TPSA83.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.00
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1CC=c2sncc2=C1S(=O)(=O)N1CCC(N2C(=O)OCc3c(Cl)cccc32)CC1.
What is the InChIKey of 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?
The InChIKey is PLPKDZPKVRJBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O4S2/c1-23-8-7-18-14(11-22-30-18)19(23)31(27,28)24-9-5-13(6-10-24)25-17-4-2-3-16(21)15(17)12-29-20(25)26/h2-4,7,11,13H,5-6,8-10,12H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 481.00 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 90719882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).