2-[(1,3-thiazol-2-ylmethylamino)methyl]phenol

C11H12N2OS — CID 61284615

IUPAC2-[(1,3-thiazol-2-ylmethylamino)methyl]phenol
SMILESOc1ccccc1CNCc1nccs1
InChIInChI=1S/C11H12N2OS/c14-10-4-2-1-3-9(10)7-12-8-11-13-5-6-15-11/h1-6,12,14H,7-8H2
InChIKeyLNWZRMMZKKWQGZ-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.14
Rot. Bonds4

About 2-[(1,3-thiazol-2-ylmethylamino)methyl]phenol

2-[(1,3-thiazol-2-ylmethylamino)methyl]phenol (PubChem CID 61284615) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 2-[(1,3-thiazol-2-ylmethylamino)methyl]phenol.

Molecular Properties

Compound Name2-[(1,3-thiazol-2-ylmethylamino)methyl]phenol
PubChem CID61284615
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name2-[(1,3-thiazol-2-ylmethylamino)methyl]phenol
SMILESOc1ccccc1CNCc1nccs1
InChIInChI=1S/C11H12N2OS/c14-10-4-2-1-3-9(10)7-12-8-11-13-5-6-15-11/h1-6,12,14H,7-8H2
InChIKeyLNWZRMMZKKWQGZ-UHFFFAOYSA-N
XLogP2.14
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.14
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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Related Compounds

1-phenyl-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 4777619
1-(2-pyrrolidin-1-ylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 60961154
3-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]benzene-1,2-diol
CID 63242570
N-(1,3-thiazol-2-ylmethyl)-1-(2,4,5-trimethylphenyl)methanamine
CID 60961813
N-(1,3-benzothiazol-2-ylmethyl)-1-(1,3-thiazol-2-yl)methanamine
CID 61283669
4-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]benzene-1,2,3-triol
CID 107730832
2-[[[(2-hydroxyphenyl)methylamino]methylamino]methyl]phenol
CID 59771868
2-[(benzylamino)methyl]phenol chloride
CID 53350489
2-chloro-6-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]phenol
CID 112554405
1-(2-bromo-5-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 66159186
2-[[4-(1,3-thiazol-2-yl)anilino]methyl]phenol
CID 60927719
1-(1,3-thiazol-2-ylmethylamino)propan-2-ol;dihydrochloride
CID 56773666

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-thiazol-2-ylmethylamino)methyl]phenol?
The IUPAC name of 2-[(1,3-thiazol-2-ylmethylamino)methyl]phenol (CID 61284615) is 2-[(1,3-thiazol-2-ylmethylamino)methyl]phenol.
What is the SMILES notation for 2-[(1,3-thiazol-2-ylmethylamino)methyl]phenol?
The canonical SMILES for 2-[(1,3-thiazol-2-ylmethylamino)methyl]phenol is Oc1ccccc1CNCc1nccs1.
What is the InChIKey of 2-[(1,3-thiazol-2-ylmethylamino)methyl]phenol?
The InChIKey is LNWZRMMZKKWQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c14-10-4-2-1-3-9(10)7-12-8-11-13-5-6-15-11/h1-6,12,14H,7-8H2.
What are the key properties of 2-[(1,3-thiazol-2-ylmethylamino)methyl]phenol?
2-[(1,3-thiazol-2-ylmethylamino)methyl]phenol has a molecular weight of 220.30 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-thiazol-2-ylmethylamino)methyl]phenol is sourced from PubChem (CID 61284615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).