6-chloro-1-[2-oxo-2-[4-(2-oxopropyl)piperazin-1-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one

C15H17ClN4O3S — CID 14423125

IUPAC6-chloro-1-[2-oxo-2-[4-(2-oxopropyl)piperazin-1-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one
SMILESCC(=O)CN1CCN(C(=O)Cn2c(=O)sc3ncc(Cl)cc32)CC1
InChIInChI=1S/C15H17ClN4O3S/c1-10(21)8-18-2-4-19(5-3-18)13(22)9-20-12-6-11(16)7-17-14(12)24-15(20)23/h6-7H,2-5,8-9H2,1H3
InChIKeyCEHCCQGYCRBWPC-UHFFFAOYSA-N
MW368.85 g/mol
LogP0.84
Rot. Bonds4

About 6-chloro-1-[2-oxo-2-[4-(2-oxopropyl)piperazin-1-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one

6-chloro-1-[2-oxo-2-[4-(2-oxopropyl)piperazin-1-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one (PubChem CID 14423125) has the molecular formula C15H17ClN4O3S and a molecular weight of 368.85 g/mol. Its IUPAC name is 6-chloro-1-[2-oxo-2-[4-(2-oxopropyl)piperazin-1-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one.

Molecular Properties

Compound Name6-chloro-1-[2-oxo-2-[4-(2-oxopropyl)piperazin-1-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one
PubChem CID14423125
Molecular FormulaC15H17ClN4O3S
Molecular Weight368.85 g/mol
Exact Mass368.07
IUPAC Name6-chloro-1-[2-oxo-2-[4-(2-oxopropyl)piperazin-1-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one
SMILESCC(=O)CN1CCN(C(=O)Cn2c(=O)sc3ncc(Cl)cc32)CC1
InChIInChI=1S/C15H17ClN4O3S/c1-10(21)8-18-2-4-19(5-3-18)13(22)9-20-12-6-11(16)7-17-14(12)24-15(20)23/h6-7H,2-5,8-9H2,1H3
InChIKeyCEHCCQGYCRBWPC-UHFFFAOYSA-N
XLogP0.84
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.85
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-chloro-1-[2-oxo-2-[4-(2-oxopropyl)piperazin-1-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one with MolForge

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Related Compounds

6-Fluoro-1-(2-piperidin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one
CID 173127252
6-Chlorothiazolo[5,4-b]pyridin-2(1H)-one
CID 2747576
6-Chloro-1-carboxymethyl-2-oxo-1,2-dihydrothiazolo[5,4-b]pyridine
CID 11010206
6-Chloro-1-methoxycarbonylmethyl-2-oxo-1,2-dihydrothiazolo[5,4-b]pyridine
CID 14098030
6-Chloro-2-oxo-1-{[4-(2-hydroxyethyl)-1-piperazinyl]carbonylmethyl]-1,2-dihydrothiazolo[5,4-b]pyridine
CID 14423121
6-Chloro-2-oxo-1-[(4-methyl-1-piperazinyl)carbonylmethyl]-1,2-dihydrothiazolo[5,4-b]pyridine
CID 14423122
5-Chloro-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one
CID 14423123
Thiazolo[5,4-b]pyridin-2(1H)-one, 5-chloro-1-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-
CID 14423124
6-Chloro-2-oxo-1-{[4-(2-acetoxyethyl)-1-piperazinyl]carbonylmethyl}-1,2-dihydrothiazolo[5,4-b]pyridine
CID 14423126
6-Chloro-1-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one
CID 15388887
1-[2-Oxo-2-(piperazin-1-yl)ethyl][1,3]thiazolo[5,4-b]pyridin-2(1H)-one
CID 15592464
1-[3-(4-Methylpiperazin-1-yl)-3-oxopropyl]-[1,3]thiazolo[5,4-b]pyridin-2-one
CID 15592468

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[2-oxo-2-[4-(2-oxopropyl)piperazin-1-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one?
The IUPAC name of 6-chloro-1-[2-oxo-2-[4-(2-oxopropyl)piperazin-1-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one (CID 14423125) is 6-chloro-1-[2-oxo-2-[4-(2-oxopropyl)piperazin-1-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one.
What is the SMILES notation for 6-chloro-1-[2-oxo-2-[4-(2-oxopropyl)piperazin-1-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one?
The canonical SMILES for 6-chloro-1-[2-oxo-2-[4-(2-oxopropyl)piperazin-1-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one is CC(=O)CN1CCN(C(=O)Cn2c(=O)sc3ncc(Cl)cc32)CC1.
What is the InChIKey of 6-chloro-1-[2-oxo-2-[4-(2-oxopropyl)piperazin-1-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one?
The InChIKey is CEHCCQGYCRBWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O3S/c1-10(21)8-18-2-4-19(5-3-18)13(22)9-20-12-6-11(16)7-17-14(12)24-15(20)23/h6-7H,2-5,8-9H2,1H3.
What are the key properties of 6-chloro-1-[2-oxo-2-[4-(2-oxopropyl)piperazin-1-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one?
6-chloro-1-[2-oxo-2-[4-(2-oxopropyl)piperazin-1-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one has a molecular weight of 368.85 g/mol, XLogP of 0.84, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[2-oxo-2-[4-(2-oxopropyl)piperazin-1-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one is sourced from PubChem (CID 14423125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).