5-[4-[(1S)-1-[[5-(4-cyclopropylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole

C27H31N5O4S2 — CID 131985151

IUPAC5-[4-[(1S)-1-[[5-(4-cyclopropylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(N2CCC([C@H](C)Oc3nc4ccc(-c5ccc(S(=O)(=O)C6CC6)cc5)nc4s3)CC2)n1
InChIInChI=1S/C27H31N5O4S2/c1-16(2)24-30-26(36-31-24)32-14-12-18(13-15-32)17(3)35-27-29-23-11-10-22(28-25(23)37-27)19-4-6-20(7-5-19)38(33,34)21-8-9-21/h4-7,10-11,16-18,21H,8-9,12-15H2,1-3H3/t17-/m0/s1
InChIKeyRAIRYHYWFRGYFG-KRWDZBQOSA-N
MW553.71 g/mol
LogP5.48
Rot. Bonds8

About 5-[4-[(1S)-1-[[5-(4-cyclopropylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole

5-[4-[(1S)-1-[[5-(4-cyclopropylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 131985151) has the molecular formula C27H31N5O4S2 and a molecular weight of 553.71 g/mol. Its IUPAC name is 5-[4-[(1S)-1-[[5-(4-cyclopropylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-[(1S)-1-[[5-(4-cyclopropylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID131985151
Molecular FormulaC27H31N5O4S2
Molecular Weight553.71 g/mol
Exact Mass553.18
IUPAC Name5-[4-[(1S)-1-[[5-(4-cyclopropylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(N2CCC([C@H](C)Oc3nc4ccc(-c5ccc(S(=O)(=O)C6CC6)cc5)nc4s3)CC2)n1
InChIInChI=1S/C27H31N5O4S2/c1-16(2)24-30-26(36-31-24)32-14-12-18(13-15-32)17(3)35-27-29-23-11-10-22(28-25(23)37-27)19-4-6-20(7-5-19)38(33,34)21-8-9-21/h4-7,10-11,16-18,21H,8-9,12-15H2,1-3H3/t17-/m0/s1
InChIKeyRAIRYHYWFRGYFG-KRWDZBQOSA-N
XLogP5.48
TPSA111.31 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.71
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 5-[4-[(1S)-1-[[5-(4-cyclopropylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(1S)-1-[[5-(4-cyclopropylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[4-[(1S)-1-[[5-(4-cyclopropylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (CID 131985151) is 5-[4-[(1S)-1-[[5-(4-cyclopropylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-[(1S)-1-[[5-(4-cyclopropylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-[(1S)-1-[[5-(4-cyclopropylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is CC(C)c1noc(N2CCC([C@H](C)Oc3nc4ccc(-c5ccc(S(=O)(=O)C6CC6)cc5)nc4s3)CC2)n1.
What is the InChIKey of 5-[4-[(1S)-1-[[5-(4-cyclopropylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is RAIRYHYWFRGYFG-KRWDZBQOSA-N. The full InChI is InChI=1S/C27H31N5O4S2/c1-16(2)24-30-26(36-31-24)32-14-12-18(13-15-32)17(3)35-27-29-23-11-10-22(28-25(23)37-27)19-4-6-20(7-5-19)38(33,34)21-8-9-21/h4-7,10-11,16-18,21H,8-9,12-15H2,1-3H3/t17-/m0/s1.
What are the key properties of 5-[4-[(1S)-1-[[5-(4-cyclopropylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[4-[(1S)-1-[[5-(4-cyclopropylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 553.71 g/mol, XLogP of 5.48, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(1S)-1-[[5-(4-cyclopropylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 131985151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).