[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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(1-benzylindazol-3-yl)-4-methyl-1,3-oxazol-5-yl]methanol
CID 18416669
5-(1-benzylindazol-3-yl)furan-2-carboxylic acid
CID 10925187
[1-(1-benzylindazol-3-yl)imidazol-4-yl]methanol
CID 21106920
2-[2-(hydroxymethyl)-1,3-thiazol-4-yl]phenol
CID 105460333
sodium 1-benzylindazol-3-olate
CID 23691647
(1-benzylindazol-3-yl)methanediol
CID 71016643
1-[5-(1-benzylindazol-3-yl)-1,3-thiazol-2-yl]ethanol
CID 21334403
[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methanol
CID 46785514
2-(1-benzylindazol-3-yl)-5-ethyl-4-methyl-1,3-oxazole
CID 21334429
1-benzylindazole-3-carboxylate
CID 22239042
[2-(1-benzylindazol-3-yl)furan-3-yl]methanamine
CID 22465028
1-benzyl-3-ethynylindazole
CID 87472716

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).