3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-3-ol

C10H10N2OS — CID 658141

IUPAC3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-3-ol
SMILESOC1CN=C2Sc3ccccc3N2C1
InChIInChI=1S/C10H10N2OS/c13-7-5-11-10-12(6-7)8-3-1-2-4-9(8)14-10/h1-4,7,13H,5-6H2
InChIKeyRMOCCIBDJTVHGP-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.33
Rot. Bonds

About 3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-3-ol

3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-3-ol (PubChem CID 658141) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-3-ol.

Molecular Properties

Compound Name3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-3-ol
PubChem CID658141
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-3-ol
SMILESOC1CN=C2Sc3ccccc3N2C1
InChIInChI=1S/C10H10N2OS/c13-7-5-11-10-12(6-7)8-3-1-2-4-9(8)14-10/h1-4,7,13H,5-6H2
InChIKeyRMOCCIBDJTVHGP-UHFFFAOYSA-N
XLogP1.33
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-3-ol?
The IUPAC name of 3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-3-ol (CID 658141) is 3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-3-ol.
What is the SMILES notation for 3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-3-ol?
The canonical SMILES for 3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-3-ol is OC1CN=C2Sc3ccccc3N2C1.
What is the InChIKey of 3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-3-ol?
The InChIKey is RMOCCIBDJTVHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c13-7-5-11-10-12(6-7)8-3-1-2-4-9(8)14-10/h1-4,7,13H,5-6H2.
What are the key properties of 3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-3-ol?
3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-3-ol has a molecular weight of 206.27 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-3-ol is sourced from PubChem (CID 658141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).