6-chloro-1-[2-[4-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one

C15H18ClN3O3S — CID 67718415

IUPAC6-chloro-1-[2-[4-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one
SMILESO=C(Cn1c(=O)sc2ncc(Cl)cc21)N1CCC(CCO)CC1
InChIInChI=1S/C15H18ClN3O3S/c16-11-7-12-14(17-8-11)23-15(22)19(12)9-13(21)18-4-1-10(2-5-18)3-6-20/h7-8,10,20H,1-6,9H2
InChIKeyQEXDSLBDPCVASC-UHFFFAOYSA-N
MW355.85 g/mol
LogP1.73
Rot. Bonds4

About 6-chloro-1-[2-[4-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one

6-chloro-1-[2-[4-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one (PubChem CID 67718415) has the molecular formula C15H18ClN3O3S and a molecular weight of 355.85 g/mol. Its IUPAC name is 6-chloro-1-[2-[4-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one.

Molecular Properties

Compound Name6-chloro-1-[2-[4-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one
PubChem CID67718415
Molecular FormulaC15H18ClN3O3S
Molecular Weight355.85 g/mol
Exact Mass355.08
IUPAC Name6-chloro-1-[2-[4-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one
SMILESO=C(Cn1c(=O)sc2ncc(Cl)cc21)N1CCC(CCO)CC1
InChIInChI=1S/C15H18ClN3O3S/c16-11-7-12-14(17-8-11)23-15(22)19(12)9-13(21)18-4-1-10(2-5-18)3-6-20/h7-8,10,20H,1-6,9H2
InChIKeyQEXDSLBDPCVASC-UHFFFAOYSA-N
XLogP1.73
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[2-[4-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one?
The IUPAC name of 6-chloro-1-[2-[4-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one (CID 67718415) is 6-chloro-1-[2-[4-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one.
What is the SMILES notation for 6-chloro-1-[2-[4-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one?
The canonical SMILES for 6-chloro-1-[2-[4-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one is O=C(Cn1c(=O)sc2ncc(Cl)cc21)N1CCC(CCO)CC1.
What is the InChIKey of 6-chloro-1-[2-[4-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one?
The InChIKey is QEXDSLBDPCVASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3S/c16-11-7-12-14(17-8-11)23-15(22)19(12)9-13(21)18-4-1-10(2-5-18)3-6-20/h7-8,10,20H,1-6,9H2.
What are the key properties of 6-chloro-1-[2-[4-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one?
6-chloro-1-[2-[4-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one has a molecular weight of 355.85 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[2-[4-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one is sourced from PubChem (CID 67718415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).