5-(4-methyl-1,3-thiazol-2-yl)-2H-isoindol-1-ol

C12H10N2OS — CID 91594841

IUPAC5-(4-methyl-1,3-thiazol-2-yl)-2H-isoindol-1-ol
SMILESCc1csc(-c2ccc3c(O)[nH]cc3c2)n1
InChIInChI=1S/C12H10N2OS/c1-7-6-16-12(14-7)8-2-3-10-9(4-8)5-13-11(10)15/h2-6,13,15H,1H3
InChIKeyDPGLEPFLFKXDIG-UHFFFAOYSA-N
MW230.29 g/mol
LogP3.31
Rot. Bonds1

About 5-(4-methyl-1,3-thiazol-2-yl)-2H-isoindol-1-ol

5-(4-methyl-1,3-thiazol-2-yl)-2H-isoindol-1-ol (PubChem CID 91594841) has the molecular formula C12H10N2OS and a molecular weight of 230.29 g/mol. Its IUPAC name is 5-(4-methyl-1,3-thiazol-2-yl)-2H-isoindol-1-ol.

Molecular Properties

Compound Name5-(4-methyl-1,3-thiazol-2-yl)-2H-isoindol-1-ol
PubChem CID91594841
Molecular FormulaC12H10N2OS
Molecular Weight230.29 g/mol
Exact Mass230.05
IUPAC Name5-(4-methyl-1,3-thiazol-2-yl)-2H-isoindol-1-ol
SMILESCc1csc(-c2ccc3c(O)[nH]cc3c2)n1
InChIInChI=1S/C12H10N2OS/c1-7-6-16-12(14-7)8-2-3-10-9(4-8)5-13-11(10)15/h2-6,13,15H,1H3
InChIKeyDPGLEPFLFKXDIG-UHFFFAOYSA-N
XLogP3.31
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-1,3-thiazol-2-yl)-2H-isoindol-1-ol?
The IUPAC name of 5-(4-methyl-1,3-thiazol-2-yl)-2H-isoindol-1-ol (CID 91594841) is 5-(4-methyl-1,3-thiazol-2-yl)-2H-isoindol-1-ol.
What is the SMILES notation for 5-(4-methyl-1,3-thiazol-2-yl)-2H-isoindol-1-ol?
The canonical SMILES for 5-(4-methyl-1,3-thiazol-2-yl)-2H-isoindol-1-ol is Cc1csc(-c2ccc3c(O)[nH]cc3c2)n1.
What is the InChIKey of 5-(4-methyl-1,3-thiazol-2-yl)-2H-isoindol-1-ol?
The InChIKey is DPGLEPFLFKXDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS/c1-7-6-16-12(14-7)8-2-3-10-9(4-8)5-13-11(10)15/h2-6,13,15H,1H3.
What are the key properties of 5-(4-methyl-1,3-thiazol-2-yl)-2H-isoindol-1-ol?
5-(4-methyl-1,3-thiazol-2-yl)-2H-isoindol-1-ol has a molecular weight of 230.29 g/mol, XLogP of 3.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-1,3-thiazol-2-yl)-2H-isoindol-1-ol is sourced from PubChem (CID 91594841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).