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

C14H18N4O3S — CID 15592469

IUPAC1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one
SMILESO=C(Cn1c(=O)sc2ncccc21)N1CCN(CCO)CC1
InChIInChI=1S/C14H18N4O3S/c19-9-8-16-4-6-17(7-5-16)12(20)10-18-11-2-1-3-15-13(11)22-14(18)21/h1-3,19H,4-10H2
InChIKeyWIHVQAFAAAIMAI-UHFFFAOYSA-N
MW322.39 g/mol
LogP-0.41
Rot. Bonds4

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

1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one (PubChem CID 15592469) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is 1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one
PubChem CID15592469
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Name1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one
SMILESO=C(Cn1c(=O)sc2ncccc21)N1CCN(CCO)CC1
InChIInChI=1S/C14H18N4O3S/c19-9-8-16-4-6-17(7-5-16)12(20)10-18-11-2-1-3-15-13(11)22-14(18)21/h1-3,19H,4-10H2
InChIKeyWIHVQAFAAAIMAI-UHFFFAOYSA-N
XLogP-0.41
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-(4-Morpholinyl)-2-oxoethyl]-2-pyrido[2,3-b][1,4]thiazinone
CID 5309395
methyl (2-oxo-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazin-1-yl)acetate
CID 3237103
2-(2-oxo-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazin-1-yl)propanoic acid
CID 3236378
2-[(4aR*,7aS*)-6,6-dioxido-4-[(pyridin-2-ylthio)acetyl]hexahydrothieno[3,4-b]pyrazin-1(2H)-yl]ethanol
CID 72929441
(6-Fluoro-2-oxo[1,3]thiazolo[5,4-b]pyridin-1(2H)-yl)acetaldehyde
CID 86635344
6-Fluoro-1-(2-piperidin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one
CID 173127252
2-(2-oxo-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazin-1-yl)acetic acid
CID 13578762
2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 20890032
2-(2-oxo-1,3-benzothiazol-3-yl)-N-pyridin-3-ylacetamide
CID 22423087
2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 122176271
2-(6-Bromo-2-oxothiazolo[5,4-b]pyridin-1(2H)-yl)acetic acid
CID 11098211
Ethyl 2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetate
CID 13578753

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one?
The IUPAC name of 1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one (CID 15592469) is 1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one.
What is the SMILES notation for 1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one?
The canonical SMILES for 1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one is O=C(Cn1c(=O)sc2ncccc21)N1CCN(CCO)CC1.
What is the InChIKey of 1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one?
The InChIKey is WIHVQAFAAAIMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c19-9-8-16-4-6-17(7-5-16)12(20)10-18-11-2-1-3-15-13(11)22-14(18)21/h1-3,19H,4-10H2.
What are the key properties of 1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one?
1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one has a molecular weight of 322.39 g/mol, XLogP of -0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one is sourced from PubChem (CID 15592469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).