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

C10H10N2OS2 — CID 61219884

IUPAC2-amino-4-(1,3-thiazol-2-ylsulfanylmethyl)phenol
SMILESNc1cc(CSc2nccs2)ccc1O
InChIInChI=1S/C10H10N2OS2/c11-8-5-7(1-2-9(8)13)6-15-10-12-3-4-14-10/h1-5,13H,6,11H2
InChIKeyTXLNWNQKKRYRNI-UHFFFAOYSA-N
MW238.34 g/mol
LogP2.72
Rot. Bonds3

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

2-amino-4-(1,3-thiazol-2-ylsulfanylmethyl)phenol (PubChem CID 61219884) has the molecular formula C10H10N2OS2 and a molecular weight of 238.34 g/mol. Its IUPAC name is 2-amino-4-(1,3-thiazol-2-ylsulfanylmethyl)phenol.

Molecular Properties

Compound Name2-amino-4-(1,3-thiazol-2-ylsulfanylmethyl)phenol
PubChem CID61219884
Molecular FormulaC10H10N2OS2
Molecular Weight238.34 g/mol
Exact Mass238.02
IUPAC Name2-amino-4-(1,3-thiazol-2-ylsulfanylmethyl)phenol
SMILESNc1cc(CSc2nccs2)ccc1O
InChIInChI=1S/C10H10N2OS2/c11-8-5-7(1-2-9(8)13)6-15-10-12-3-4-14-10/h1-5,13H,6,11H2
InChIKeyTXLNWNQKKRYRNI-UHFFFAOYSA-N
XLogP2.72
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(1,3-thiazol-2-ylsulfanylmethyl)phenol?
The IUPAC name of 2-amino-4-(1,3-thiazol-2-ylsulfanylmethyl)phenol (CID 61219884) is 2-amino-4-(1,3-thiazol-2-ylsulfanylmethyl)phenol.
What is the SMILES notation for 2-amino-4-(1,3-thiazol-2-ylsulfanylmethyl)phenol?
The canonical SMILES for 2-amino-4-(1,3-thiazol-2-ylsulfanylmethyl)phenol is Nc1cc(CSc2nccs2)ccc1O.
What is the InChIKey of 2-amino-4-(1,3-thiazol-2-ylsulfanylmethyl)phenol?
The InChIKey is TXLNWNQKKRYRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS2/c11-8-5-7(1-2-9(8)13)6-15-10-12-3-4-14-10/h1-5,13H,6,11H2.
What are the key properties of 2-amino-4-(1,3-thiazol-2-ylsulfanylmethyl)phenol?
2-amino-4-(1,3-thiazol-2-ylsulfanylmethyl)phenol has a molecular weight of 238.34 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(1,3-thiazol-2-ylsulfanylmethyl)phenol is sourced from PubChem (CID 61219884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).