3-[5-(2-amino-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol

C11H8N4O2S — CID 107921126

IUPAC3-[5-(2-amino-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol
SMILESNc1nc(-c2nc(-c3cccc(O)c3)no2)cs1
InChIInChI=1S/C11H8N4O2S/c12-11-13-8(5-18-11)10-14-9(15-17-10)6-2-1-3-7(16)4-6/h1-5,16H,(H2,12,13)
InChIKeyGFPAMVLECIDIDD-UHFFFAOYSA-N
MW260.28 g/mol
LogP2.15
Rot. Bonds2

About 3-[5-(2-amino-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol

3-[5-(2-amino-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 107921126) has the molecular formula C11H8N4O2S and a molecular weight of 260.28 g/mol. Its IUPAC name is 3-[5-(2-amino-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

Compound Name3-[5-(2-amino-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol
PubChem CID107921126
Molecular FormulaC11H8N4O2S
Molecular Weight260.28 g/mol
Exact Mass260.04
IUPAC Name3-[5-(2-amino-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol
SMILESNc1nc(-c2nc(-c3cccc(O)c3)no2)cs1
InChIInChI=1S/C11H8N4O2S/c12-11-13-8(5-18-11)10-14-9(15-17-10)6-2-1-3-7(16)4-6/h1-5,16H,(H2,12,13)
InChIKeyGFPAMVLECIDIDD-UHFFFAOYSA-N
XLogP2.15
TPSA98.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 62787081
3-[5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]phenol
CID 107921033
3-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 63022523
3-[5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol
CID 43120309
2-amino-4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136888758
3-[5-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol
CID 55152491
2-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809760
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 62787593
3-[5-(3-amino-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol
CID 107921047
3-[5-(3-amino-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 107921176
3-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 62920980
3-(3-amino-1,2,4-oxadiazol-5-yl)phenol
CID 115079196

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-amino-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol?
The IUPAC name of 3-[5-(2-amino-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol (CID 107921126) is 3-[5-(2-amino-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol.
What is the SMILES notation for 3-[5-(2-amino-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol?
The canonical SMILES for 3-[5-(2-amino-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol is Nc1nc(-c2nc(-c3cccc(O)c3)no2)cs1.
What is the InChIKey of 3-[5-(2-amino-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol?
The InChIKey is GFPAMVLECIDIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O2S/c12-11-13-8(5-18-11)10-14-9(15-17-10)6-2-1-3-7(16)4-6/h1-5,16H,(H2,12,13).
What are the key properties of 3-[5-(2-amino-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol?
3-[5-(2-amino-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol has a molecular weight of 260.28 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-amino-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 107921126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).