1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-[1,3]thiazolo[5,4-b]pyridin-2-one

C14H18N4O2S — CID 15592468

IUPAC1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-[1,3]thiazolo[5,4-b]pyridin-2-one
SMILESCN1CCN(C(=O)CCn2c(=O)sc3ncccc32)CC1
InChIInChI=1S/C14H18N4O2S/c1-16-7-9-17(10-8-16)12(19)4-6-18-11-3-2-5-15-13(11)21-14(18)20/h2-3,5H,4,6-10H2,1H3
InChIKeyMTQPQNXOYJOPLZ-UHFFFAOYSA-N
MW306.39 g/mol
LogP0.62
Rot. Bonds3

About 1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-[1,3]thiazolo[5,4-b]pyridin-2-one

1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-[1,3]thiazolo[5,4-b]pyridin-2-one (PubChem CID 15592468) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-[1,3]thiazolo[5,4-b]pyridin-2-one.

Molecular Properties

Compound Name1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-[1,3]thiazolo[5,4-b]pyridin-2-one
PubChem CID15592468
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-[1,3]thiazolo[5,4-b]pyridin-2-one
SMILESCN1CCN(C(=O)CCn2c(=O)sc3ncccc32)CC1
InChIInChI=1S/C14H18N4O2S/c1-16-7-9-17(10-8-16)12(19)4-6-18-11-3-2-5-15-13(11)21-14(18)20/h2-3,5H,4,6-10H2,1H3
InChIKeyMTQPQNXOYJOPLZ-UHFFFAOYSA-N
XLogP0.62
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-oxo-1,3-benzothiazol-3-yl)-N-pyridin-3-ylpropanamide
CID 3242337
1-methyl-3-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1H-pyrido[2,3-b][1,4]thiazin-2(3H)-one
CID 53014183
1-Methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrido[2,3-b][1,4]thiazin-2-one
CID 53148493
3-[2-(4-Ethylpiperazin-1-yl)-2-oxoethyl]-1-methylpyrido[2,3-b][1,4]thiazin-2-one
CID 53148497
N-[3-(dimethylamino)propyl]-2-(1-methyl-2-oxo-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazin-3-yl)acetamide
CID 53148515
3-[2-(1-Azepanyl)-2-oxoethyl]-1-methyl-1H-pyrido[2,3-B][1,4]thiazin-2(3H)-one
CID 53148519
1-(3-azepan-1-yl-3-oxopropyl)-5-[5-(5-bromo-2-furyl)-1,2,4-oxadiazol-3-yl]-1H-benzimidazole
CID 53148521
1-Methyl-3-[2-oxo-2-(4-propylpiperazino)ethyl]-1H-pyrido[2,3-B][1,4]thiazin-2(3H)-one
CID 53148524
1-methyl-3-(2-oxo-2-piperidinoethyl)-1H-pyrido[2,3-b][1,4]thiazin-2(3H)-one
CID 53148527
3-[2-(Azepan-1-YL)-2-oxoethyl]-1-ethyl-1H,2H,3H-pyrido[2,3-B][1,4]thiazin-2-one
CID 53148554
1-(4-Oxo-4-piperidin-1-ylbutyl)pyrido[2,3-b][1,4]thiazin-2-one
CID 6625395
4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-propan-2-ylbutanamide
CID 6625454

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-[1,3]thiazolo[5,4-b]pyridin-2-one?
The IUPAC name of 1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-[1,3]thiazolo[5,4-b]pyridin-2-one (CID 15592468) is 1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-[1,3]thiazolo[5,4-b]pyridin-2-one.
What is the SMILES notation for 1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-[1,3]thiazolo[5,4-b]pyridin-2-one?
The canonical SMILES for 1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-[1,3]thiazolo[5,4-b]pyridin-2-one is CN1CCN(C(=O)CCn2c(=O)sc3ncccc32)CC1.
What is the InChIKey of 1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-[1,3]thiazolo[5,4-b]pyridin-2-one?
The InChIKey is MTQPQNXOYJOPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-16-7-9-17(10-8-16)12(19)4-6-18-11-3-2-5-15-13(11)21-14(18)20/h2-3,5H,4,6-10H2,1H3.
What are the key properties of 1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-[1,3]thiazolo[5,4-b]pyridin-2-one?
1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-[1,3]thiazolo[5,4-b]pyridin-2-one has a molecular weight of 306.39 g/mol, XLogP of 0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-[1,3]thiazolo[5,4-b]pyridin-2-one is sourced from PubChem (CID 15592468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).