N-(2,2-dimethoxyethyl)-N-methyl-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide

C16H17N3O4S — CID 126469373

IUPACN-(2,2-dimethoxyethyl)-N-methyl-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
SMILESCOC(CN(C)C(=O)c1cnc2sc3ccccc3n2c1=O)OC
InChIInChI=1S/C16H17N3O4S/c1-18(9-13(22-2)23-3)14(20)10-8-17-16-19(15(10)21)11-6-4-5-7-12(11)24-16/h4-8,13H,9H2,1-3H3
InChIKeyHCNQNMMXIFFRQZ-UHFFFAOYSA-N
MW347.40 g/mol
LogP1.60
Rot. Bonds5

About N-(2,2-dimethoxyethyl)-N-methyl-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide

N-(2,2-dimethoxyethyl)-N-methyl-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide (PubChem CID 126469373) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-N-methyl-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-N-methyl-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
PubChem CID126469373
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC NameN-(2,2-dimethoxyethyl)-N-methyl-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
SMILESCOC(CN(C)C(=O)c1cnc2sc3ccccc3n2c1=O)OC
InChIInChI=1S/C16H17N3O4S/c1-18(9-13(22-2)23-3)14(20)10-8-17-16-19(15(10)21)11-6-4-5-7-12(11)24-16/h4-8,13H,9H2,1-3H3
InChIKeyHCNQNMMXIFFRQZ-UHFFFAOYSA-N
XLogP1.60
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(2,2-dimethoxyethyl)-N-methyl-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide 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-Morpholin-4-yl-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
CID 76309099
(Z)-N-(3-(2-methoxyethyl)benzo[d]thiazol-2(3H)-ylidene)-2-((2-morpholino-2-oxoethyl)thio)acetamide
CID 4318954
Methyl 4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxylate
CID 6625369
4-Oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
CID 381858
ethyl 4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxylate
CID 695623
2-Oxo-2h-pyrimido[2,1-b]benzothiazole-3-carboxamide
CID 129831954
(Z)-N-(3-(2-methoxyethyl)benzo[d]thiazol-2(3H)-ylidene)acetamide
CID 4099086
(Z)-N-(3-(2-methoxyethyl)benzo[d]thiazol-2(3H)-ylidene)pivalamide
CID 4419181
N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide
CID 4592151
N-(2-methylpropyl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
CID 126469144
N-(1-hydroxy-4-methylpentan-2-yl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
CID 126469223
N-(2-hydroxyethyl)-4-oxo-N-propan-2-ylpyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
CID 126469253

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-N-methyl-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-N-methyl-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide (CID 126469373) is N-(2,2-dimethoxyethyl)-N-methyl-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-N-methyl-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-N-methyl-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide is COC(CN(C)C(=O)c1cnc2sc3ccccc3n2c1=O)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-N-methyl-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
The InChIKey is HCNQNMMXIFFRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S/c1-18(9-13(22-2)23-3)14(20)10-8-17-16-19(15(10)21)11-6-4-5-7-12(11)24-16/h4-8,13H,9H2,1-3H3.
What are the key properties of N-(2,2-dimethoxyethyl)-N-methyl-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
N-(2,2-dimethoxyethyl)-N-methyl-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide has a molecular weight of 347.40 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-N-methyl-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide is sourced from PubChem (CID 126469373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).