1-[5-(1-benzylindazol-3-yl)-1,3-thiazol-2-yl]ethanol

C19H17N3OS — CID 21334403

IUPAC1-[5-(1-benzylindazol-3-yl)-1,3-thiazol-2-yl]ethanol
SMILESCC(O)c1ncc(-c2nn(Cc3ccccc3)c3ccccc23)s1
InChIInChI=1S/C19H17N3OS/c1-13(23)19-20-11-17(24-19)18-15-9-5-6-10-16(15)22(21-18)12-14-7-3-2-4-8-14/h2-11,13,23H,12H2,1H3
InChIKeyPURLYKLOHIKTOZ-UHFFFAOYSA-N
MW335.43 g/mol
LogP4.26
Rot. Bonds4

About 1-[5-(1-benzylindazol-3-yl)-1,3-thiazol-2-yl]ethanol

1-[5-(1-benzylindazol-3-yl)-1,3-thiazol-2-yl]ethanol (PubChem CID 21334403) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is 1-[5-(1-benzylindazol-3-yl)-1,3-thiazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[5-(1-benzylindazol-3-yl)-1,3-thiazol-2-yl]ethanol
PubChem CID21334403
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC Name1-[5-(1-benzylindazol-3-yl)-1,3-thiazol-2-yl]ethanol
SMILESCC(O)c1ncc(-c2nn(Cc3ccccc3)c3ccccc23)s1
InChIInChI=1S/C19H17N3OS/c1-13(23)19-20-11-17(24-19)18-15-9-5-6-10-16(15)22(21-18)12-14-7-3-2-4-8-14/h2-11,13,23H,12H2,1H3
InChIKeyPURLYKLOHIKTOZ-UHFFFAOYSA-N
XLogP4.26
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-benzylindazol-3-yl)-1,3-thiazol-2-yl]ethanol?
The IUPAC name of 1-[5-(1-benzylindazol-3-yl)-1,3-thiazol-2-yl]ethanol (CID 21334403) is 1-[5-(1-benzylindazol-3-yl)-1,3-thiazol-2-yl]ethanol.
What is the SMILES notation for 1-[5-(1-benzylindazol-3-yl)-1,3-thiazol-2-yl]ethanol?
The canonical SMILES for 1-[5-(1-benzylindazol-3-yl)-1,3-thiazol-2-yl]ethanol is CC(O)c1ncc(-c2nn(Cc3ccccc3)c3ccccc23)s1.
What is the InChIKey of 1-[5-(1-benzylindazol-3-yl)-1,3-thiazol-2-yl]ethanol?
The InChIKey is PURLYKLOHIKTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS/c1-13(23)19-20-11-17(24-19)18-15-9-5-6-10-16(15)22(21-18)12-14-7-3-2-4-8-14/h2-11,13,23H,12H2,1H3.
What are the key properties of 1-[5-(1-benzylindazol-3-yl)-1,3-thiazol-2-yl]ethanol?
1-[5-(1-benzylindazol-3-yl)-1,3-thiazol-2-yl]ethanol has a molecular weight of 335.43 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-benzylindazol-3-yl)-1,3-thiazol-2-yl]ethanol is sourced from PubChem (CID 21334403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).