(2S)-2-phenyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole

C16H14N2S — CID 24827682

IUPAC(2S)-2-phenyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole
SMILESc1ccc([C@@H]2CCN3C(=N2)Sc2ccccc23)cc1
InChIInChI=1S/C16H14N2S/c1-2-6-12(7-3-1)13-10-11-18-14-8-4-5-9-15(14)19-16(18)17-13/h1-9,13H,10-11H2/t13-/m0/s1
InChIKeyZMYZJAQMQBHNLH-ZDUSSCGKSA-N
MW266.37 g/mol
LogP4.10
Rot. Bonds1

About (2S)-2-phenyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole

(2S)-2-phenyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole (PubChem CID 24827682) has the molecular formula C16H14N2S and a molecular weight of 266.37 g/mol. Its IUPAC name is (2S)-2-phenyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name(2S)-2-phenyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole
PubChem CID24827682
Molecular FormulaC16H14N2S
Molecular Weight266.37 g/mol
Exact Mass266.09
IUPAC Name(2S)-2-phenyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole
SMILESc1ccc([C@@H]2CCN3C(=N2)Sc2ccccc23)cc1
InChIInChI=1S/C16H14N2S/c1-2-6-12(7-3-1)13-10-11-18-14-8-4-5-9-15(14)19-16(18)17-13/h1-9,13H,10-11H2/t13-/m0/s1
InChIKeyZMYZJAQMQBHNLH-ZDUSSCGKSA-N
XLogP4.10
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole?
The IUPAC name of (2S)-2-phenyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole (CID 24827682) is (2S)-2-phenyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole.
What is the SMILES notation for (2S)-2-phenyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole?
The canonical SMILES for (2S)-2-phenyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole is c1ccc([C@@H]2CCN3C(=N2)Sc2ccccc23)cc1.
What is the InChIKey of (2S)-2-phenyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole?
The InChIKey is ZMYZJAQMQBHNLH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H14N2S/c1-2-6-12(7-3-1)13-10-11-18-14-8-4-5-9-15(14)19-16(18)17-13/h1-9,13H,10-11H2/t13-/m0/s1.
What are the key properties of (2S)-2-phenyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole?
(2S)-2-phenyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole has a molecular weight of 266.37 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 24827682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).