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

C10H9ClN2OS — CID 112607028

IUPAC2-chloro-6-[(1,3-thiazol-2-ylamino)methyl]phenol
SMILESOc1c(Cl)cccc1CNc1nccs1
InChIInChI=1S/C10H9ClN2OS/c11-8-3-1-2-7(9(8)14)6-13-10-12-4-5-15-10/h1-5,14H,6H2,(H,12,13)
InChIKeyYOWWDOMUGRRNNJ-UHFFFAOYSA-N
MW240.72 g/mol
LogP3.11
Rot. Bonds3

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

2-chloro-6-[(1,3-thiazol-2-ylamino)methyl]phenol (PubChem CID 112607028) has the molecular formula C10H9ClN2OS and a molecular weight of 240.72 g/mol. Its IUPAC name is 2-chloro-6-[(1,3-thiazol-2-ylamino)methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-[(1,3-thiazol-2-ylamino)methyl]phenol
PubChem CID112607028
Molecular FormulaC10H9ClN2OS
Molecular Weight240.72 g/mol
Exact Mass240.01
IUPAC Name2-chloro-6-[(1,3-thiazol-2-ylamino)methyl]phenol
SMILESOc1c(Cl)cccc1CNc1nccs1
InChIInChI=1S/C10H9ClN2OS/c11-8-3-1-2-7(9(8)14)6-13-10-12-4-5-15-10/h1-5,14H,6H2,(H,12,13)
InChIKeyYOWWDOMUGRRNNJ-UHFFFAOYSA-N
XLogP3.11
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 53.11
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-chloro-6-[(1,3-thiazol-2-ylamino)methyl]phenol?
The IUPAC name of 2-chloro-6-[(1,3-thiazol-2-ylamino)methyl]phenol (CID 112607028) is 2-chloro-6-[(1,3-thiazol-2-ylamino)methyl]phenol.
What is the SMILES notation for 2-chloro-6-[(1,3-thiazol-2-ylamino)methyl]phenol?
The canonical SMILES for 2-chloro-6-[(1,3-thiazol-2-ylamino)methyl]phenol is Oc1c(Cl)cccc1CNc1nccs1.
What is the InChIKey of 2-chloro-6-[(1,3-thiazol-2-ylamino)methyl]phenol?
The InChIKey is YOWWDOMUGRRNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2OS/c11-8-3-1-2-7(9(8)14)6-13-10-12-4-5-15-10/h1-5,14H,6H2,(H,12,13).
What are the key properties of 2-chloro-6-[(1,3-thiazol-2-ylamino)methyl]phenol?
2-chloro-6-[(1,3-thiazol-2-ylamino)methyl]phenol has a molecular weight of 240.72 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(1,3-thiazol-2-ylamino)methyl]phenol is sourced from PubChem (CID 112607028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).