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

C17H12N2OS — CID 737588

IUPAC4-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]phenol
SMILESOc1ccc(-c2nc(-c3c[nH]c4ccccc34)cs2)cc1
InChIInChI=1S/C17H12N2OS/c20-12-7-5-11(6-8-12)17-19-16(10-21-17)14-9-18-15-4-2-1-3-13(14)15/h1-10,18,20H
InChIKeyGKUHULKDFFMLAW-UHFFFAOYSA-N
MW292.36 g/mol
LogP4.66
Rot. Bonds2

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

4-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]phenol (PubChem CID 737588) has the molecular formula C17H12N2OS and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]phenol.

Molecular Properties

Compound Name4-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]phenol
PubChem CID737588
Molecular FormulaC17H12N2OS
Molecular Weight292.36 g/mol
Exact Mass292.07
IUPAC Name4-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]phenol
SMILESOc1ccc(-c2nc(-c3c[nH]c4ccccc34)cs2)cc1
InChIInChI=1S/C17H12N2OS/c20-12-7-5-11(6-8-12)17-19-16(10-21-17)14-9-18-15-4-2-1-3-13(14)15/h1-10,18,20H
InChIKeyGKUHULKDFFMLAW-UHFFFAOYSA-N
XLogP4.66
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]phenol?
The IUPAC name of 4-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]phenol (CID 737588) is 4-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]phenol.
What is the SMILES notation for 4-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]phenol?
The canonical SMILES for 4-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]phenol is Oc1ccc(-c2nc(-c3c[nH]c4ccccc34)cs2)cc1.
What is the InChIKey of 4-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]phenol?
The InChIKey is GKUHULKDFFMLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2OS/c20-12-7-5-11(6-8-12)17-19-16(10-21-17)14-9-18-15-4-2-1-3-13(14)15/h1-10,18,20H.
What are the key properties of 4-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]phenol?
4-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]phenol has a molecular weight of 292.36 g/mol, XLogP of 4.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]phenol is sourced from PubChem (CID 737588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).