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

C16H21ClN4O2S — CID 20795370

IUPAC1-[2-(4-butylpiperazin-1-yl)-2-oxoethyl]-6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-one
SMILESCCCCN1CCN(C(=O)Cn2c(=O)sc3ncc(Cl)cc32)CC1
InChIInChI=1S/C16H21ClN4O2S/c1-2-3-4-19-5-7-20(8-6-19)14(22)11-21-13-9-12(17)10-18-15(13)24-16(21)23/h9-10H,2-8,11H2,1H3
InChIKeyNPVPQOFUUYUDQV-UHFFFAOYSA-N
MW368.89 g/mol
LogP2.06
Rot. Bonds5

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

1-[2-(4-butylpiperazin-1-yl)-2-oxoethyl]-6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-one (PubChem CID 20795370) has the molecular formula C16H21ClN4O2S and a molecular weight of 368.89 g/mol. Its IUPAC name is 1-[2-(4-butylpiperazin-1-yl)-2-oxoethyl]-6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(4-butylpiperazin-1-yl)-2-oxoethyl]-6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-one
PubChem CID20795370
Molecular FormulaC16H21ClN4O2S
Molecular Weight368.89 g/mol
Exact Mass368.11
IUPAC Name1-[2-(4-butylpiperazin-1-yl)-2-oxoethyl]-6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-one
SMILESCCCCN1CCN(C(=O)Cn2c(=O)sc3ncc(Cl)cc32)CC1
InChIInChI=1S/C16H21ClN4O2S/c1-2-3-4-19-5-7-20(8-6-19)14(22)11-21-13-9-12(17)10-18-15(13)24-16(21)23/h9-10H,2-8,11H2,1H3
InChIKeyNPVPQOFUUYUDQV-UHFFFAOYSA-N
XLogP2.06
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.89
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-(4-butylpiperazin-1-yl)-2-oxoethyl]-6-chloro-[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-acetonyl-1-piperazinyl)carbonylmethyl]-1,2-dihydrothiazolo[5,4-b]pyridine
CID 14423125
6-Chloro-2-oxo-1-{[4-(2-acetoxyethyl)-1-piperazinyl]carbonylmethyl}-1,2-dihydrothiazolo[5,4-b]pyridine
CID 14423126
2-[4-[2-(5-Chloro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetyl]piperazin-1-yl]ethyl acetate
CID 14423127
6-Chloro-1-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one
CID 15388887

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-butylpiperazin-1-yl)-2-oxoethyl]-6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-one?
The IUPAC name of 1-[2-(4-butylpiperazin-1-yl)-2-oxoethyl]-6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-one (CID 20795370) is 1-[2-(4-butylpiperazin-1-yl)-2-oxoethyl]-6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-one.
What is the SMILES notation for 1-[2-(4-butylpiperazin-1-yl)-2-oxoethyl]-6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-one?
The canonical SMILES for 1-[2-(4-butylpiperazin-1-yl)-2-oxoethyl]-6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-one is CCCCN1CCN(C(=O)Cn2c(=O)sc3ncc(Cl)cc32)CC1.
What is the InChIKey of 1-[2-(4-butylpiperazin-1-yl)-2-oxoethyl]-6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-one?
The InChIKey is NPVPQOFUUYUDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O2S/c1-2-3-4-19-5-7-20(8-6-19)14(22)11-21-13-9-12(17)10-18-15(13)24-16(21)23/h9-10H,2-8,11H2,1H3.
What are the key properties of 1-[2-(4-butylpiperazin-1-yl)-2-oxoethyl]-6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-one?
1-[2-(4-butylpiperazin-1-yl)-2-oxoethyl]-6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-one has a molecular weight of 368.89 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-butylpiperazin-1-yl)-2-oxoethyl]-6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-one is sourced from PubChem (CID 20795370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).