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

C15H15N3O3S — CID 126470036

IUPACN-(1-methoxypropan-2-yl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
SMILESCOCC(C)NC(=O)c1cnc2sc3ccccc3n2c1=O
InChIInChI=1S/C15H15N3O3S/c1-9(8-21-2)17-13(19)10-7-16-15-18(14(10)20)11-5-3-4-6-12(11)22-15/h3-7,9H,8H2,1-2H3,(H,17,19)
InChIKeyCJNKVGDJFRUDNG-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.67
Rot. Bonds4

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

N-(1-methoxypropan-2-yl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide (PubChem CID 126470036) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
PubChem CID126470036
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC NameN-(1-methoxypropan-2-yl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
SMILESCOCC(C)NC(=O)c1cnc2sc3ccccc3n2c1=O
InChIInChI=1S/C15H15N3O3S/c1-9(8-21-2)17-13(19)10-7-16-15-18(14(10)20)11-5-3-4-6-12(11)22-15/h3-7,9H,8H2,1-2H3,(H,17,19)
InChIKeyCJNKVGDJFRUDNG-UHFFFAOYSA-N
XLogP1.67
TPSA72.70 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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
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
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
CID 767827
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
N-(2-(methylthio)phenyl)-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4123589
(Z)-N-(6-acetamido-3-(2-ethoxyethyl)benzo[d]thiazol-2(3H)-ylidene)isobutyramide
CID 4179269
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

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide (CID 126470036) is N-(1-methoxypropan-2-yl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide is COCC(C)NC(=O)c1cnc2sc3ccccc3n2c1=O.
What is the InChIKey of N-(1-methoxypropan-2-yl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
The InChIKey is CJNKVGDJFRUDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-9(8-21-2)17-13(19)10-7-16-15-18(14(10)20)11-5-3-4-6-12(11)22-15/h3-7,9H,8H2,1-2H3,(H,17,19).
What are the key properties of N-(1-methoxypropan-2-yl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
N-(1-methoxypropan-2-yl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide has a molecular weight of 317.37 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide is sourced from PubChem (CID 126470036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).