N-methyl-4-oxo-N-propan-2-ylpyrimido[2,1-b][1,3]benzothiazole-3-carboxamide

C15H15N3O2S — CID 126469448

IUPACN-methyl-4-oxo-N-propan-2-ylpyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
SMILESCC(C)N(C)C(=O)c1cnc2sc3ccccc3n2c1=O
InChIInChI=1S/C15H15N3O2S/c1-9(2)17(3)13(19)10-8-16-15-18(14(10)20)11-6-4-5-7-12(11)21-15/h4-9H,1-3H3
InChIKeyCNVDFLRRBANGTO-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.39
Rot. Bonds2

About N-methyl-4-oxo-N-propan-2-ylpyrimido[2,1-b][1,3]benzothiazole-3-carboxamide

N-methyl-4-oxo-N-propan-2-ylpyrimido[2,1-b][1,3]benzothiazole-3-carboxamide (PubChem CID 126469448) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-methyl-4-oxo-N-propan-2-ylpyrimido[2,1-b][1,3]benzothiazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-4-oxo-N-propan-2-ylpyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
PubChem CID126469448
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-methyl-4-oxo-N-propan-2-ylpyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
SMILESCC(C)N(C)C(=O)c1cnc2sc3ccccc3n2c1=O
InChIInChI=1S/C15H15N3O2S/c1-9(2)17(3)13(19)10-8-16-15-18(14(10)20)11-6-4-5-7-12(11)21-15/h4-9H,1-3H3
InChIKeyCNVDFLRRBANGTO-UHFFFAOYSA-N
XLogP2.39
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-4-oxo-N-propan-2-ylpyrimido[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

8-methyl-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one
CID 714693
N-cyclohexyl-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3245630
N-butyl-5-oxo-N-phenyl-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4688002
5-oxo-N-phenyl-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 5069368
2-methyl-N-(2-(methylthio)phenyl)-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 7266705
N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 656374
4-Hydroxy-3-methylpyrimido[2,1-b][1,3]benzothiazol-2-one
CID 135473079
2-(4-Methylpiperazin-1-yl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
CID 71577082
2-(4-Ethylpiperazin-1-yl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
CID 71577083
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

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-oxo-N-propan-2-ylpyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
The IUPAC name of N-methyl-4-oxo-N-propan-2-ylpyrimido[2,1-b][1,3]benzothiazole-3-carboxamide (CID 126469448) is N-methyl-4-oxo-N-propan-2-ylpyrimido[2,1-b][1,3]benzothiazole-3-carboxamide.
What is the SMILES notation for N-methyl-4-oxo-N-propan-2-ylpyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
The canonical SMILES for N-methyl-4-oxo-N-propan-2-ylpyrimido[2,1-b][1,3]benzothiazole-3-carboxamide is CC(C)N(C)C(=O)c1cnc2sc3ccccc3n2c1=O.
What is the InChIKey of N-methyl-4-oxo-N-propan-2-ylpyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
The InChIKey is CNVDFLRRBANGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-9(2)17(3)13(19)10-8-16-15-18(14(10)20)11-6-4-5-7-12(11)21-15/h4-9H,1-3H3.
What are the key properties of N-methyl-4-oxo-N-propan-2-ylpyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
N-methyl-4-oxo-N-propan-2-ylpyrimido[2,1-b][1,3]benzothiazole-3-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-oxo-N-propan-2-ylpyrimido[2,1-b][1,3]benzothiazole-3-carboxamide is sourced from PubChem (CID 126469448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).