2-methylpyrimido[2,1-b][1,3]benzothiazol-4-one

C11H8N2OS — CID 901810

IUPAC2-methylpyrimido[2,1-b][1,3]benzothiazol-4-one
SMILESCc1cc(=O)n2c(n1)sc1ccccc12
InChIInChI=1S/C11H8N2OS/c1-7-6-10(14)13-8-4-2-3-5-9(8)15-11(13)12-7/h2-6H,1H3
InChIKeyHYVKJTBSXPDKLK-UHFFFAOYSA-N
MW216.27 g/mol
LogP2.22
Rot. Bonds

About 2-methylpyrimido[2,1-b][1,3]benzothiazol-4-one

2-methylpyrimido[2,1-b][1,3]benzothiazol-4-one (PubChem CID 901810) has the molecular formula C11H8N2OS and a molecular weight of 216.27 g/mol. Its IUPAC name is 2-methylpyrimido[2,1-b][1,3]benzothiazol-4-one.

Molecular Properties

Compound Name2-methylpyrimido[2,1-b][1,3]benzothiazol-4-one
PubChem CID901810
Molecular FormulaC11H8N2OS
Molecular Weight216.27 g/mol
Exact Mass216.04
IUPAC Name2-methylpyrimido[2,1-b][1,3]benzothiazol-4-one
SMILESCc1cc(=O)n2c(n1)sc1ccccc12
InChIInChI=1S/C11H8N2OS/c1-7-6-10(14)13-8-4-2-3-5-9(8)15-11(13)12-7/h2-6H,1H3
InChIKeyHYVKJTBSXPDKLK-UHFFFAOYSA-N
XLogP2.22
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

BC11-38
CID 2052828
2-Butylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 2155145
3-Phenyl-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione
CID 2802078
3-Acetyl-2-benzothiazolone
CID 689052
2-Butan-2-ylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 3403301
8-methyl-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one
CID 714693
(Z)-N-(4-fluoro-3-methylbenzo[d]thiazol-2(3H)-ylidene)pivalamide
CID 2151125
methyl 2-oxo-2H-pyrimido[2,1-b][1,3]benzothiazole-4-carboxylate
CID 651247
4-Phenyl-2H-pyrimido(2,1-B)(1,3)benzothiazol-2-one
CID 10084936
2-(methylthio)-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
CID 756732
3-(4-fluorophenyl)-2-(methylthio)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
CID 756752
2-(ethylthio)-3-(4-fluorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
CID 756753

Frequently Asked Questions

What is the IUPAC name of 2-methylpyrimido[2,1-b][1,3]benzothiazol-4-one?
The IUPAC name of 2-methylpyrimido[2,1-b][1,3]benzothiazol-4-one (CID 901810) is 2-methylpyrimido[2,1-b][1,3]benzothiazol-4-one.
What is the SMILES notation for 2-methylpyrimido[2,1-b][1,3]benzothiazol-4-one?
The canonical SMILES for 2-methylpyrimido[2,1-b][1,3]benzothiazol-4-one is Cc1cc(=O)n2c(n1)sc1ccccc12.
What is the InChIKey of 2-methylpyrimido[2,1-b][1,3]benzothiazol-4-one?
The InChIKey is HYVKJTBSXPDKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2OS/c1-7-6-10(14)13-8-4-2-3-5-9(8)15-11(13)12-7/h2-6H,1H3.
What are the key properties of 2-methylpyrimido[2,1-b][1,3]benzothiazol-4-one?
2-methylpyrimido[2,1-b][1,3]benzothiazol-4-one has a molecular weight of 216.27 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyrimido[2,1-b][1,3]benzothiazol-4-one is sourced from PubChem (CID 901810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).