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

C18H14N2OS — CID 102490368

IUPAC3-[2-(2-methyl-1H-indol-3-yl)-1,3-thiazol-4-yl]phenol
SMILESCc1[nH]c2ccccc2c1-c1nc(-c2cccc(O)c2)cs1
InChIInChI=1S/C18H14N2OS/c1-11-17(14-7-2-3-8-15(14)19-11)18-20-16(10-22-18)12-5-4-6-13(21)9-12/h2-10,19,21H,1H3
InChIKeyKGRPDBRXVBHMEZ-UHFFFAOYSA-N
MW306.39 g/mol
LogP4.97
Rot. Bonds2

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

3-[2-(2-methyl-1H-indol-3-yl)-1,3-thiazol-4-yl]phenol (PubChem CID 102490368) has the molecular formula C18H14N2OS and a molecular weight of 306.39 g/mol. Its IUPAC name is 3-[2-(2-methyl-1H-indol-3-yl)-1,3-thiazol-4-yl]phenol.

Molecular Properties

Compound Name3-[2-(2-methyl-1H-indol-3-yl)-1,3-thiazol-4-yl]phenol
PubChem CID102490368
Molecular FormulaC18H14N2OS
Molecular Weight306.39 g/mol
Exact Mass306.08
IUPAC Name3-[2-(2-methyl-1H-indol-3-yl)-1,3-thiazol-4-yl]phenol
SMILESCc1[nH]c2ccccc2c1-c1nc(-c2cccc(O)c2)cs1
InChIInChI=1S/C18H14N2OS/c1-11-17(14-7-2-3-8-15(14)19-11)18-20-16(10-22-18)12-5-4-6-13(21)9-12/h2-10,19,21H,1H3
InChIKeyKGRPDBRXVBHMEZ-UHFFFAOYSA-N
XLogP4.97
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methyl-1H-indol-3-yl)-1,3-thiazol-4-yl]phenol?
The IUPAC name of 3-[2-(2-methyl-1H-indol-3-yl)-1,3-thiazol-4-yl]phenol (CID 102490368) is 3-[2-(2-methyl-1H-indol-3-yl)-1,3-thiazol-4-yl]phenol.
What is the SMILES notation for 3-[2-(2-methyl-1H-indol-3-yl)-1,3-thiazol-4-yl]phenol?
The canonical SMILES for 3-[2-(2-methyl-1H-indol-3-yl)-1,3-thiazol-4-yl]phenol is Cc1[nH]c2ccccc2c1-c1nc(-c2cccc(O)c2)cs1.
What is the InChIKey of 3-[2-(2-methyl-1H-indol-3-yl)-1,3-thiazol-4-yl]phenol?
The InChIKey is KGRPDBRXVBHMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2OS/c1-11-17(14-7-2-3-8-15(14)19-11)18-20-16(10-22-18)12-5-4-6-13(21)9-12/h2-10,19,21H,1H3.
What are the key properties of 3-[2-(2-methyl-1H-indol-3-yl)-1,3-thiazol-4-yl]phenol?
3-[2-(2-methyl-1H-indol-3-yl)-1,3-thiazol-4-yl]phenol has a molecular weight of 306.39 g/mol, XLogP of 4.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methyl-1H-indol-3-yl)-1,3-thiazol-4-yl]phenol is sourced from PubChem (CID 102490368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).