[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

C21H20N4O5S2 — CID 30824099

IUPAC[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
SMILESO=C(Cc1nc(COC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cs1)NCc1ccccc1
InChIInChI=1S/C21H20N4O5S2/c26-19(22-11-15-4-2-1-3-5-15)10-20-23-17(14-31-20)13-30-21(27)16-6-7-18-24-32(28,29)9-8-25(18)12-16/h1-7,12,14H,8-11,13H2,(H,22,26)
InChIKeyYEYHSYOGUZCELQ-UHFFFAOYSA-N
MW472.55 g/mol
LogP1.54
Rot. Bonds7

About [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

[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 (PubChem CID 30824099) has the molecular formula C21H20N4O5S2 and a molecular weight of 472.55 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID30824099
Molecular FormulaC21H20N4O5S2
Molecular Weight472.55 g/mol
Exact Mass472.09
IUPAC Name[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
SMILESO=C(Cc1nc(COC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cs1)NCc1ccccc1
InChIInChI=1S/C21H20N4O5S2/c26-19(22-11-15-4-2-1-3-5-15)10-20-23-17(14-31-20)13-30-21(27)16-6-7-18-24-32(28,29)9-8-25(18)12-16/h1-7,12,14H,8-11,13H2,(H,22,26)
InChIKeyYEYHSYOGUZCELQ-UHFFFAOYSA-N
XLogP1.54
TPSA118.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[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
[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-methoxy-4-methylbenzoate
CID 24631415
2-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid
CID 9148295
[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 24631235
[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 30394126
[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 30823588
[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-(4-chloro-3-methylphenoxy)acetate
CID 24631245
[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl (E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoate
CID 30823937
ethyl 2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylate
CID 99816625
2-(2-amino-1,3-thiazol-4-yl)-N-benzylacetamide
CID 39733641
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 43320091
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 43320104

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is O=C(Cc1nc(COC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cs1)NCc1ccccc1.
What is the InChIKey of [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?
The InChIKey is YEYHSYOGUZCELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O5S2/c26-19(22-11-15-4-2-1-3-5-15)10-20-23-17(14-31-20)13-30-21(27)16-6-7-18-24-32(28,29)9-8-25(18)12-16/h1-7,12,14H,8-11,13H2,(H,22,26).
What are the key properties of [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?
[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 has a molecular weight of 472.55 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 30824099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).