[4-(1-benzylindazol-3-yl)-1,3-thiazol-2-yl]methanol

C18H15N3OS — CID 21106955

IUPAC[4-(1-benzylindazol-3-yl)-1,3-thiazol-2-yl]methanol
SMILESOCc1nc(-c2nn(Cc3ccccc3)c3ccccc23)cs1
InChIInChI=1S/C18H15N3OS/c22-11-17-19-15(12-23-17)18-14-8-4-5-9-16(14)21(20-18)10-13-6-2-1-3-7-13/h1-9,12,22H,10-11H2
InChIKeyZJQBCHDNUKJMNU-UHFFFAOYSA-N
MW321.41 g/mol
LogP3.70
Rot. Bonds4

About [4-(1-benzylindazol-3-yl)-1,3-thiazol-2-yl]methanol

[4-(1-benzylindazol-3-yl)-1,3-thiazol-2-yl]methanol (PubChem CID 21106955) has the molecular formula C18H15N3OS and a molecular weight of 321.41 g/mol. Its IUPAC name is [4-(1-benzylindazol-3-yl)-1,3-thiazol-2-yl]methanol.

Molecular Properties

Compound Name[4-(1-benzylindazol-3-yl)-1,3-thiazol-2-yl]methanol
PubChem CID21106955
Molecular FormulaC18H15N3OS
Molecular Weight321.41 g/mol
Exact Mass321.09
IUPAC Name[4-(1-benzylindazol-3-yl)-1,3-thiazol-2-yl]methanol
SMILESOCc1nc(-c2nn(Cc3ccccc3)c3ccccc23)cs1
InChIInChI=1S/C18H15N3OS/c22-11-17-19-15(12-23-17)18-14-8-4-5-9-16(14)21(20-18)10-13-6-2-1-3-7-13/h1-9,12,22H,10-11H2
InChIKeyZJQBCHDNUKJMNU-UHFFFAOYSA-N
XLogP3.70
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(1-benzylindazol-3-yl)-1,3-thiazol-2-yl]methanol?
The IUPAC name of [4-(1-benzylindazol-3-yl)-1,3-thiazol-2-yl]methanol (CID 21106955) is [4-(1-benzylindazol-3-yl)-1,3-thiazol-2-yl]methanol.
What is the SMILES notation for [4-(1-benzylindazol-3-yl)-1,3-thiazol-2-yl]methanol?
The canonical SMILES for [4-(1-benzylindazol-3-yl)-1,3-thiazol-2-yl]methanol is OCc1nc(-c2nn(Cc3ccccc3)c3ccccc23)cs1.
What is the InChIKey of [4-(1-benzylindazol-3-yl)-1,3-thiazol-2-yl]methanol?
The InChIKey is ZJQBCHDNUKJMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS/c22-11-17-19-15(12-23-17)18-14-8-4-5-9-16(14)21(20-18)10-13-6-2-1-3-7-13/h1-9,12,22H,10-11H2.
What are the key properties of [4-(1-benzylindazol-3-yl)-1,3-thiazol-2-yl]methanol?
[4-(1-benzylindazol-3-yl)-1,3-thiazol-2-yl]methanol has a molecular weight of 321.41 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-benzylindazol-3-yl)-1,3-thiazol-2-yl]methanol is sourced from PubChem (CID 21106955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).