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

C15H15N3O2S — CID 126469144

IUPACN-(2-methylpropyl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
SMILESCC(C)CNC(=O)c1cnc2sc3ccccc3n2c1=O
InChIInChI=1S/C15H15N3O2S/c1-9(2)7-16-13(19)10-8-17-15-18(14(10)20)11-5-3-4-6-12(11)21-15/h3-6,8-9H,7H2,1-2H3,(H,16,19)
InChIKeyNGSMYUICRZEEFN-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.30
Rot. Bonds3

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

N-(2-methylpropyl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide (PubChem CID 126469144) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
PubChem CID126469144
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-(2-methylpropyl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
SMILESCC(C)CNC(=O)c1cnc2sc3ccccc3n2c1=O
InChIInChI=1S/C15H15N3O2S/c1-9(2)7-16-13(19)10-8-17-15-18(14(10)20)11-5-3-4-6-12(11)21-15/h3-6,8-9H,7H2,1-2H3,(H,16,19)
InChIKeyNGSMYUICRZEEFN-UHFFFAOYSA-N
XLogP2.30
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
The IUPAC name of N-(2-methylpropyl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide (CID 126469144) is N-(2-methylpropyl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide is CC(C)CNC(=O)c1cnc2sc3ccccc3n2c1=O.
What is the InChIKey of N-(2-methylpropyl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
The InChIKey is NGSMYUICRZEEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-9(2)7-16-13(19)10-8-17-15-18(14(10)20)11-5-3-4-6-12(11)21-15/h3-6,8-9H,7H2,1-2H3,(H,16,19).
What are the key properties of N-(2-methylpropyl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
N-(2-methylpropyl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide is sourced from PubChem (CID 126469144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).