2-(4-ethylpiperazin-1-yl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide

C17H19N5O2S — CID 71577083

IUPAC2-(4-ethylpiperazin-1-yl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
SMILESCCN1CCN(c2nc3sc4ccccc4n3c(=O)c2C(N)=O)CC1
InChIInChI=1S/C17H19N5O2S/c1-2-20-7-9-21(10-8-20)15-13(14(18)23)16(24)22-11-5-3-4-6-12(11)25-17(22)19-15/h3-6H,2,7-10H2,1H3,(H2,18,23)
InChIKeyUCICQFCAUDICIX-UHFFFAOYSA-N
MW357.44 g/mol
LogP1.15
Rot. Bonds3

About 2-(4-ethylpiperazin-1-yl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide

2-(4-ethylpiperazin-1-yl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide (PubChem CID 71577083) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
PubChem CID71577083
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC Name2-(4-ethylpiperazin-1-yl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
SMILESCCN1CCN(c2nc3sc4ccccc4n3c(=O)c2C(N)=O)CC1
InChIInChI=1S/C17H19N5O2S/c1-2-20-7-9-21(10-8-20)15-13(14(18)23)16(24)22-11-5-3-4-6-12(11)25-17(22)19-15/h3-6H,2,7-10H2,1H3,(H2,18,23)
InChIKeyUCICQFCAUDICIX-UHFFFAOYSA-N
XLogP1.15
TPSA83.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-6-(4-phenylpiperazine-1-carbonyl)-5H-thiazolo[3,2-a]pyrimidin-5-one
CID 7177780
2-methyl-N-(2-(methylthio)phenyl)-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 7266705
(2-methyl-4-phenyl-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 73351085
2-(4-Methylpiperazin-1-yl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
CID 71577082
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
8-Chloro-2-(4-methylpiperazin-1-yl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
CID 71577086
8-Chloro-2-(4-ethylpiperazin-1-yl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
CID 71577087
8-Chloro-2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
CID 71577157
8-Chloro-2-[2-(dimethylamino)ethylamino]-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
CID 71577158
2-Morpholin-4-yl-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
CID 76309099
8-Chloro-4-oxo-2-piperidin-1-ylpyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
CID 76316322

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide (CID 71577083) is 2-(4-ethylpiperazin-1-yl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide is CCN1CCN(c2nc3sc4ccccc4n3c(=O)c2C(N)=O)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
The InChIKey is UCICQFCAUDICIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-2-20-7-9-21(10-8-20)15-13(14(18)23)16(24)22-11-5-3-4-6-12(11)25-17(22)19-15/h3-6H,2,7-10H2,1H3,(H2,18,23).
What are the key properties of 2-(4-ethylpiperazin-1-yl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
2-(4-ethylpiperazin-1-yl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide is sourced from PubChem (CID 71577083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).