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

C12H10N2OS — CID 70493320

IUPAC4-ethylpyrimido[2,1-b][1,3]benzothiazol-2-one
SMILESCCc1cc(=O)nc2sc3ccccc3n12
InChIInChI=1S/C12H10N2OS/c1-2-8-7-11(15)13-12-14(8)9-5-3-4-6-10(9)16-12/h3-7H,2H2,1H3
InChIKeyYXVDXHMUMXPXQE-UHFFFAOYSA-N
MW230.29 g/mol
LogP2.47
Rot. Bonds1

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

4-ethylpyrimido[2,1-b][1,3]benzothiazol-2-one (PubChem CID 70493320) has the molecular formula C12H10N2OS and a molecular weight of 230.29 g/mol. Its IUPAC name is 4-ethylpyrimido[2,1-b][1,3]benzothiazol-2-one.

Molecular Properties

Compound Name4-ethylpyrimido[2,1-b][1,3]benzothiazol-2-one
PubChem CID70493320
Molecular FormulaC12H10N2OS
Molecular Weight230.29 g/mol
Exact Mass230.05
IUPAC Name4-ethylpyrimido[2,1-b][1,3]benzothiazol-2-one
SMILESCCc1cc(=O)nc2sc3ccccc3n12
InChIInChI=1S/C12H10N2OS/c1-2-8-7-11(15)13-12-14(8)9-5-3-4-6-10(9)16-12/h3-7H,2H2,1H3
InChIKeyYXVDXHMUMXPXQE-UHFFFAOYSA-N
XLogP2.47
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethylpyrimido[2,1-b][1,3]benzothiazol-2-one?
The IUPAC name of 4-ethylpyrimido[2,1-b][1,3]benzothiazol-2-one (CID 70493320) is 4-ethylpyrimido[2,1-b][1,3]benzothiazol-2-one.
What is the SMILES notation for 4-ethylpyrimido[2,1-b][1,3]benzothiazol-2-one?
The canonical SMILES for 4-ethylpyrimido[2,1-b][1,3]benzothiazol-2-one is CCc1cc(=O)nc2sc3ccccc3n12.
What is the InChIKey of 4-ethylpyrimido[2,1-b][1,3]benzothiazol-2-one?
The InChIKey is YXVDXHMUMXPXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS/c1-2-8-7-11(15)13-12-14(8)9-5-3-4-6-10(9)16-12/h3-7H,2H2,1H3.
What are the key properties of 4-ethylpyrimido[2,1-b][1,3]benzothiazol-2-one?
4-ethylpyrimido[2,1-b][1,3]benzothiazol-2-one has a molecular weight of 230.29 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylpyrimido[2,1-b][1,3]benzothiazol-2-one is sourced from PubChem (CID 70493320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).