3-[2-(1H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]phenol

C17H13N3OS — CID 22259258

IUPAC3-[2-(1H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]phenol
SMILESCc1nc(-c2n[nH]c3ccccc23)sc1-c1cccc(O)c1
InChIInChI=1S/C17H13N3OS/c1-10-16(11-5-4-6-12(21)9-11)22-17(18-10)15-13-7-2-3-8-14(13)19-20-15/h2-9,21H,1H3,(H,19,20)
InChIKeyBGWNVZYDVWLVHS-UHFFFAOYSA-N
MW307.38 g/mol
LogP4.37
Rot. Bonds2

About 3-[2-(1H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]phenol

3-[2-(1H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]phenol (PubChem CID 22259258) has the molecular formula C17H13N3OS and a molecular weight of 307.38 g/mol. Its IUPAC name is 3-[2-(1H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]phenol.

Molecular Properties

Compound Name3-[2-(1H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]phenol
PubChem CID22259258
Molecular FormulaC17H13N3OS
Molecular Weight307.38 g/mol
Exact Mass307.08
IUPAC Name3-[2-(1H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]phenol
SMILESCc1nc(-c2n[nH]c3ccccc23)sc1-c1cccc(O)c1
InChIInChI=1S/C17H13N3OS/c1-10-16(11-5-4-6-12(21)9-11)22-17(18-10)15-13-7-2-3-8-14(13)19-20-15/h2-9,21H,1H3,(H,19,20)
InChIKeyBGWNVZYDVWLVHS-UHFFFAOYSA-N
XLogP4.37
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]phenol?
The IUPAC name of 3-[2-(1H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]phenol (CID 22259258) is 3-[2-(1H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]phenol.
What is the SMILES notation for 3-[2-(1H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]phenol?
The canonical SMILES for 3-[2-(1H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]phenol is Cc1nc(-c2n[nH]c3ccccc23)sc1-c1cccc(O)c1.
What is the InChIKey of 3-[2-(1H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]phenol?
The InChIKey is BGWNVZYDVWLVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3OS/c1-10-16(11-5-4-6-12(21)9-11)22-17(18-10)15-13-7-2-3-8-14(13)19-20-15/h2-9,21H,1H3,(H,19,20).
What are the key properties of 3-[2-(1H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]phenol?
3-[2-(1H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]phenol has a molecular weight of 307.38 g/mol, XLogP of 4.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]phenol is sourced from PubChem (CID 22259258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).