2,4-dichloro-6-[(1,3-thiazol-2-ylamino)methyl]phenol

C10H8Cl2N2OS — CID 950924

IUPAC2,4-dichloro-6-[(1,3-thiazol-2-ylamino)methyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1CNc1nccs1
InChIInChI=1S/C10H8Cl2N2OS/c11-7-3-6(9(15)8(12)4-7)5-14-10-13-1-2-16-10/h1-4,15H,5H2,(H,13,14)
InChIKeyLYSNWLOLBOCKMM-UHFFFAOYSA-N
MW275.16 g/mol
LogP3.77
Rot. Bonds3

About 2,4-dichloro-6-[(1,3-thiazol-2-ylamino)methyl]phenol

2,4-dichloro-6-[(1,3-thiazol-2-ylamino)methyl]phenol (PubChem CID 950924) has the molecular formula C10H8Cl2N2OS and a molecular weight of 275.16 g/mol. Its IUPAC name is 2,4-dichloro-6-[(1,3-thiazol-2-ylamino)methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(1,3-thiazol-2-ylamino)methyl]phenol
PubChem CID950924
Molecular FormulaC10H8Cl2N2OS
Molecular Weight275.16 g/mol
Exact Mass273.97
IUPAC Name2,4-dichloro-6-[(1,3-thiazol-2-ylamino)methyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1CNc1nccs1
InChIInChI=1S/C10H8Cl2N2OS/c11-7-3-6(9(15)8(12)4-7)5-14-10-13-1-2-16-10/h1-4,15H,5H2,(H,13,14)
InChIKeyLYSNWLOLBOCKMM-UHFFFAOYSA-N
XLogP3.77
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.16
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(1,3-thiazol-2-ylamino)methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(1,3-thiazol-2-ylamino)methyl]phenol (CID 950924) is 2,4-dichloro-6-[(1,3-thiazol-2-ylamino)methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(1,3-thiazol-2-ylamino)methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(1,3-thiazol-2-ylamino)methyl]phenol is Oc1c(Cl)cc(Cl)cc1CNc1nccs1.
What is the InChIKey of 2,4-dichloro-6-[(1,3-thiazol-2-ylamino)methyl]phenol?
The InChIKey is LYSNWLOLBOCKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2OS/c11-7-3-6(9(15)8(12)4-7)5-14-10-13-1-2-16-10/h1-4,15H,5H2,(H,13,14).
What are the key properties of 2,4-dichloro-6-[(1,3-thiazol-2-ylamino)methyl]phenol?
2,4-dichloro-6-[(1,3-thiazol-2-ylamino)methyl]phenol has a molecular weight of 275.16 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(1,3-thiazol-2-ylamino)methyl]phenol is sourced from PubChem (CID 950924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).