N-ethyl-N-(2-hydroxyethyl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide

C15H15N3O3S — CID 126469675

IUPACN-ethyl-N-(2-hydroxyethyl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
SMILESCCN(CCO)C(=O)c1cnc2sc3ccccc3n2c1=O
InChIInChI=1S/C15H15N3O3S/c1-2-17(7-8-19)13(20)10-9-16-15-18(14(10)21)11-5-3-4-6-12(11)22-15/h3-6,9,19H,2,7-8H2,1H3
InChIKeyWKTRCXSEKVUGAZ-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.36
Rot. Bonds4

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

N-ethyl-N-(2-hydroxyethyl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide (PubChem CID 126469675) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
PubChem CID126469675
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC NameN-ethyl-N-(2-hydroxyethyl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
SMILESCCN(CCO)C(=O)c1cnc2sc3ccccc3n2c1=O
InChIInChI=1S/C15H15N3O3S/c1-2-17(7-8-19)13(20)10-9-16-15-18(14(10)21)11-5-3-4-6-12(11)22-15/h3-6,9,19H,2,7-8H2,1H3
InChIKeyWKTRCXSEKVUGAZ-UHFFFAOYSA-N
XLogP1.36
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-(2-(methylthio)phenyl)-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 7266705
4-Hydroxy-3-methylpyrimido[2,1-b][1,3]benzothiazol-2-one
CID 135473079
2-[4-(2-Hydroxyethyl)piperazin-1-yl]-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
CID 71577084
2-[2-(Dimethylamino)ethylamino]-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
CID 71577085
2-Morpholin-4-yl-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
CID 76309099
4-Oxo-2-pyrrolidin-1-ylpyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
CID 76316323
4-Oxo-2-piperidin-1-ylpyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
CID 76330916
3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-3-ol
CID 658141
N-(3-methyl-1,3-benzothiazol-2-ylidene)-6-oxo-1H-pyridine-3-carboxamide
CID 2475852
3-methyl-N-(2-(methylthio)phenyl)-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3255946
3-ethyl-2-hydroxy-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
CID 135481902
4-Oxo-4H-9-thia-1,4a-diaza-fluorene-3-carboxylic acid
CID 2725859

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxyethyl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide (CID 126469675) is N-ethyl-N-(2-hydroxyethyl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide is CCN(CCO)C(=O)c1cnc2sc3ccccc3n2c1=O.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
The InChIKey is WKTRCXSEKVUGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-2-17(7-8-19)13(20)10-9-16-15-18(14(10)21)11-5-3-4-6-12(11)22-15/h3-6,9,19H,2,7-8H2,1H3.
What are the key properties of N-ethyl-N-(2-hydroxyethyl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
N-ethyl-N-(2-hydroxyethyl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide has a molecular weight of 317.37 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide is sourced from PubChem (CID 126469675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).