(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methyl N-(2-oxoethyl)carbamate

C11H11N3O4S — CID 135236065

IUPAC(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methyl N-(2-oxoethyl)carbamate
SMILESO=CCNC(=O)OCc1ccc2c(n1)NC(=O)CS2
InChIInChI=1S/C11H11N3O4S/c15-4-3-12-11(17)18-5-7-1-2-8-10(13-7)14-9(16)6-19-8/h1-2,4H,3,5-6H2,(H,12,17)(H,13,14,16)
InChIKeyDUMQNZDIRINVNY-UHFFFAOYSA-N
MW281.29 g/mol
LogP0.55
Rot. Bonds4

About (3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methyl N-(2-oxoethyl)carbamate

(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methyl N-(2-oxoethyl)carbamate (PubChem CID 135236065) has the molecular formula C11H11N3O4S and a molecular weight of 281.29 g/mol. Its IUPAC name is (3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methyl N-(2-oxoethyl)carbamate.

Molecular Properties

Compound Name(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methyl N-(2-oxoethyl)carbamate
PubChem CID135236065
Molecular FormulaC11H11N3O4S
Molecular Weight281.29 g/mol
Exact Mass281.05
IUPAC Name(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methyl N-(2-oxoethyl)carbamate
SMILESO=CCNC(=O)OCc1ccc2c(n1)NC(=O)CS2
InChIInChI=1S/C11H11N3O4S/c15-4-3-12-11(17)18-5-7-1-2-8-10(13-7)14-9(16)6-19-8/h1-2,4H,3,5-6H2,(H,12,17)(H,13,14,16)
InChIKeyDUMQNZDIRINVNY-UHFFFAOYSA-N
XLogP0.55
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-(hydroxymethyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 11608093
methyl 2-sulfanylacetate;3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxylic acid
CID 158860060
benzyl N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]carbamate
CID 110784771
3-[(5S)-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-5-yl]propanal
CID 87366957
6-[(cyclohexylamino)methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;quinolin-4-ylcarbamic acid
CID 68890003
(2-phenyl-1,3-oxazol-4-yl)methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 16505934
methyl N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]carbamate
CID 110784769
6-[[2-[4-hydroxy-1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride
CID 44527459
6-[[2-[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 11236645
N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-hydroxy-4-[[(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]methyl]cyclopentane-1-carboxamide
CID 73019677
1-amino-3-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]urea
CID 115192676
6-[[[8-[(2R)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride
CID 45481000

Frequently Asked Questions

What is the IUPAC name of (3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methyl N-(2-oxoethyl)carbamate?
The IUPAC name of (3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methyl N-(2-oxoethyl)carbamate (CID 135236065) is (3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methyl N-(2-oxoethyl)carbamate.
What is the SMILES notation for (3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methyl N-(2-oxoethyl)carbamate?
The canonical SMILES for (3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methyl N-(2-oxoethyl)carbamate is O=CCNC(=O)OCc1ccc2c(n1)NC(=O)CS2.
What is the InChIKey of (3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methyl N-(2-oxoethyl)carbamate?
The InChIKey is DUMQNZDIRINVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4S/c15-4-3-12-11(17)18-5-7-1-2-8-10(13-7)14-9(16)6-19-8/h1-2,4H,3,5-6H2,(H,12,17)(H,13,14,16).
What are the key properties of (3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methyl N-(2-oxoethyl)carbamate?
(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methyl N-(2-oxoethyl)carbamate has a molecular weight of 281.29 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methyl N-(2-oxoethyl)carbamate is sourced from PubChem (CID 135236065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).