(3S)-1-methyl-3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]pyrido[2,3-b][1,4]thiazin-2-one

C17H24N4O2S — CID 95096800

IUPAC(3S)-1-methyl-3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]pyrido[2,3-b][1,4]thiazin-2-one
SMILESCCCN1CCN(C(=O)C[C@@H]2Sc3ncccc3N(C)C2=O)CC1
InChIInChI=1S/C17H24N4O2S/c1-3-7-20-8-10-21(11-9-20)15(22)12-14-17(23)19(2)13-5-4-6-18-16(13)24-14/h4-6,14H,3,7-12H2,1-2H3/t14-/m0/s1
InChIKeyGYCQPZDPCAZDAB-AWEZNQCLSA-N
MW348.47 g/mol
LogP1.46
Rot. Bonds4

About (3S)-1-methyl-3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]pyrido[2,3-b][1,4]thiazin-2-one

(3S)-1-methyl-3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]pyrido[2,3-b][1,4]thiazin-2-one (PubChem CID 95096800) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is (3S)-1-methyl-3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]pyrido[2,3-b][1,4]thiazin-2-one.

Molecular Properties

Compound Name(3S)-1-methyl-3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]pyrido[2,3-b][1,4]thiazin-2-one
PubChem CID95096800
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name(3S)-1-methyl-3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]pyrido[2,3-b][1,4]thiazin-2-one
SMILESCCCN1CCN(C(=O)C[C@@H]2Sc3ncccc3N(C)C2=O)CC1
InChIInChI=1S/C17H24N4O2S/c1-3-7-20-8-10-21(11-9-20)15(22)12-14-17(23)19(2)13-5-4-6-18-16(13)24-14/h4-6,14H,3,7-12H2,1-2H3/t14-/m0/s1
InChIKeyGYCQPZDPCAZDAB-AWEZNQCLSA-N
XLogP1.46
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-methyl-3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]pyrido[2,3-b][1,4]thiazin-2-one?
The IUPAC name of (3S)-1-methyl-3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]pyrido[2,3-b][1,4]thiazin-2-one (CID 95096800) is (3S)-1-methyl-3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]pyrido[2,3-b][1,4]thiazin-2-one.
What is the SMILES notation for (3S)-1-methyl-3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]pyrido[2,3-b][1,4]thiazin-2-one?
The canonical SMILES for (3S)-1-methyl-3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]pyrido[2,3-b][1,4]thiazin-2-one is CCCN1CCN(C(=O)C[C@@H]2Sc3ncccc3N(C)C2=O)CC1.
What is the InChIKey of (3S)-1-methyl-3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]pyrido[2,3-b][1,4]thiazin-2-one?
The InChIKey is GYCQPZDPCAZDAB-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-3-7-20-8-10-21(11-9-20)15(22)12-14-17(23)19(2)13-5-4-6-18-16(13)24-14/h4-6,14H,3,7-12H2,1-2H3/t14-/m0/s1.
What are the key properties of (3S)-1-methyl-3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]pyrido[2,3-b][1,4]thiazin-2-one?
(3S)-1-methyl-3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]pyrido[2,3-b][1,4]thiazin-2-one has a molecular weight of 348.47 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methyl-3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]pyrido[2,3-b][1,4]thiazin-2-one is sourced from PubChem (CID 95096800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).