3-(2-amino-1,3-thiazol-4-yl)phenol

C9H8N2OS — CID 1497786

IUPAC3-(2-amino-1,3-thiazol-4-yl)phenol
SMILESNc1nc(-c2cccc(O)c2)cs1
InChIInChI=1S/C9H8N2OS/c10-9-11-8(5-13-9)6-2-1-3-7(12)4-6/h1-5,12H,(H2,10,11)
InChIKeyDSTSMWRMFXIWCT-UHFFFAOYSA-N
MW192.24 g/mol
LogP2.10
Rot. Bonds1

About 3-(2-amino-1,3-thiazol-4-yl)phenol

3-(2-amino-1,3-thiazol-4-yl)phenol (PubChem CID 1497786) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is 3-(2-amino-1,3-thiazol-4-yl)phenol.

Molecular Properties

Compound Name3-(2-amino-1,3-thiazol-4-yl)phenol
PubChem CID1497786
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC Name3-(2-amino-1,3-thiazol-4-yl)phenol
SMILESNc1nc(-c2cccc(O)c2)cs1
InChIInChI=1S/C9H8N2OS/c10-9-11-8(5-13-9)6-2-1-3-7(12)4-6/h1-5,12H,(H2,10,11)
InChIKeyDSTSMWRMFXIWCT-UHFFFAOYSA-N
XLogP2.10
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)phenol?
The IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)phenol (CID 1497786) is 3-(2-amino-1,3-thiazol-4-yl)phenol.
What is the SMILES notation for 3-(2-amino-1,3-thiazol-4-yl)phenol?
The canonical SMILES for 3-(2-amino-1,3-thiazol-4-yl)phenol is Nc1nc(-c2cccc(O)c2)cs1.
What is the InChIKey of 3-(2-amino-1,3-thiazol-4-yl)phenol?
The InChIKey is DSTSMWRMFXIWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c10-9-11-8(5-13-9)6-2-1-3-7(12)4-6/h1-5,12H,(H2,10,11).
What are the key properties of 3-(2-amino-1,3-thiazol-4-yl)phenol?
3-(2-amino-1,3-thiazol-4-yl)phenol has a molecular weight of 192.24 g/mol, XLogP of 2.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1,3-thiazol-4-yl)phenol is sourced from PubChem (CID 1497786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).