[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate

C16H18N4O5S2 — CID 55370678

IUPAC[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate
SMILESCCN(C(C)=O)c1nc(COC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cs1
InChIInChI=1S/C16H18N4O5S2/c1-3-20(11(2)21)16-17-13(10-26-16)9-25-15(22)12-4-5-14-18-27(23,24)7-6-19(14)8-12/h4-5,8,10H,3,6-7,9H2,1-2H3
InChIKeyIBGWUWNTMDIHDY-UHFFFAOYSA-N
MW410.48 g/mol
LogP1.06
Rot. Bonds5

About [2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate

[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate (PubChem CID 55370678) has the molecular formula C16H18N4O5S2 and a molecular weight of 410.48 g/mol. Its IUPAC name is [2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate.

Molecular Properties

Compound Name[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate
PubChem CID55370678
Molecular FormulaC16H18N4O5S2
Molecular Weight410.48 g/mol
Exact Mass410.07
IUPAC Name[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate
SMILESCCN(C(C)=O)c1nc(COC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cs1
InChIInChI=1S/C16H18N4O5S2/c1-3-20(11(2)21)16-17-13(10-26-16)9-25-15(22)12-4-5-14-18-27(23,24)7-6-19(14)8-12/h4-5,8,10H,3,6-7,9H2,1-2H3
InChIKeyIBGWUWNTMDIHDY-UHFFFAOYSA-N
XLogP1.06
TPSA109.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate
CID 30824099
(2-phenyl-1,3-oxazol-4-yl)methyl 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate
CID 31962279
prop-2-enyl 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate
CID 47110644
[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 55473427
[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 55509051
[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate
CID 55393121
[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 48711107
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate
CID 55374892
[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 4-bromo-3,5-dimethoxybenzoate
CID 30934427
[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 3,4,5-trimethoxybenzoate
CID 31202064
N-(2-amino-2-methylpropyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride
CID 119630347
[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 4-(methylsulfonylmethyl)benzoate
CID 55310607

Frequently Asked Questions

What is the IUPAC name of [2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate?
The IUPAC name of [2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate (CID 55370678) is [2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate.
What is the SMILES notation for [2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate?
The canonical SMILES for [2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate is CCN(C(C)=O)c1nc(COC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cs1.
What is the InChIKey of [2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate?
The InChIKey is IBGWUWNTMDIHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O5S2/c1-3-20(11(2)21)16-17-13(10-26-16)9-25-15(22)12-4-5-14-18-27(23,24)7-6-19(14)8-12/h4-5,8,10H,3,6-7,9H2,1-2H3.
What are the key properties of [2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate?
[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate has a molecular weight of 410.48 g/mol, XLogP of 1.06, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate is sourced from PubChem (CID 55370678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).