2-phenyl-[1,3]thiazolo[3,2-c]quinazolin-4-ium-3-ol

C16H11N2OS+ — CID 2328541

IUPAC2-phenyl-[1,3]thiazolo[3,2-c]quinazolin-4-ium-3-ol
SMILESOc1c(-c2ccccc2)sc2c3ccccc3nc[n+]12
InChIInChI=1S/C16H10N2OS/c19-15-14(11-6-2-1-3-7-11)20-16-12-8-4-5-9-13(12)17-10-18(15)16/h1-10H/p+1
InChIKeySKODWBMIONHWNI-UHFFFAOYSA-O
MW279.34 g/mol
LogP3.41
Rot. Bonds1

About 2-phenyl-[1,3]thiazolo[3,2-c]quinazolin-4-ium-3-ol

2-phenyl-[1,3]thiazolo[3,2-c]quinazolin-4-ium-3-ol (PubChem CID 2328541) has the molecular formula C16H11N2OS+ and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-phenyl-[1,3]thiazolo[3,2-c]quinazolin-4-ium-3-ol.

Molecular Properties

Compound Name2-phenyl-[1,3]thiazolo[3,2-c]quinazolin-4-ium-3-ol
PubChem CID2328541
Molecular FormulaC16H11N2OS+
Molecular Weight279.34 g/mol
Exact Mass279.06
IUPAC Name2-phenyl-[1,3]thiazolo[3,2-c]quinazolin-4-ium-3-ol
SMILESOc1c(-c2ccccc2)sc2c3ccccc3nc[n+]12
InChIInChI=1S/C16H10N2OS/c19-15-14(11-6-2-1-3-7-11)20-16-12-8-4-5-9-13(12)17-10-18(15)16/h1-10H/p+1
InChIKeySKODWBMIONHWNI-UHFFFAOYSA-O
XLogP3.41
TPSA37.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-[1,3]thiazolo[3,2-c]quinazolin-4-ium-3-ol?
The IUPAC name of 2-phenyl-[1,3]thiazolo[3,2-c]quinazolin-4-ium-3-ol (CID 2328541) is 2-phenyl-[1,3]thiazolo[3,2-c]quinazolin-4-ium-3-ol.
What is the SMILES notation for 2-phenyl-[1,3]thiazolo[3,2-c]quinazolin-4-ium-3-ol?
The canonical SMILES for 2-phenyl-[1,3]thiazolo[3,2-c]quinazolin-4-ium-3-ol is Oc1c(-c2ccccc2)sc2c3ccccc3nc[n+]12.
What is the InChIKey of 2-phenyl-[1,3]thiazolo[3,2-c]quinazolin-4-ium-3-ol?
The InChIKey is SKODWBMIONHWNI-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H10N2OS/c19-15-14(11-6-2-1-3-7-11)20-16-12-8-4-5-9-13(12)17-10-18(15)16/h1-10H/p+1.
What are the key properties of 2-phenyl-[1,3]thiazolo[3,2-c]quinazolin-4-ium-3-ol?
2-phenyl-[1,3]thiazolo[3,2-c]quinazolin-4-ium-3-ol has a molecular weight of 279.34 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-[1,3]thiazolo[3,2-c]quinazolin-4-ium-3-ol is sourced from PubChem (CID 2328541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).