2,6-dimethyl-4-[(1,3-thiazol-5-ylmethylamino)methyl]phenol

C13H16N2OS — CID 115732273

IUPAC2,6-dimethyl-4-[(1,3-thiazol-5-ylmethylamino)methyl]phenol
SMILESCc1cc(CNCc2cncs2)cc(C)c1O
InChIInChI=1S/C13H16N2OS/c1-9-3-11(4-10(2)13(9)16)5-14-6-12-7-15-8-17-12/h3-4,7-8,14,16H,5-6H2,1-2H3
InChIKeyYBHVXFXEZAFRPB-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.76
Rot. Bonds4

About 2,6-dimethyl-4-[(1,3-thiazol-5-ylmethylamino)methyl]phenol

2,6-dimethyl-4-[(1,3-thiazol-5-ylmethylamino)methyl]phenol (PubChem CID 115732273) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 2,6-dimethyl-4-[(1,3-thiazol-5-ylmethylamino)methyl]phenol.

Molecular Properties

Compound Name2,6-dimethyl-4-[(1,3-thiazol-5-ylmethylamino)methyl]phenol
PubChem CID115732273
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name2,6-dimethyl-4-[(1,3-thiazol-5-ylmethylamino)methyl]phenol
SMILESCc1cc(CNCc2cncs2)cc(C)c1O
InChIInChI=1S/C13H16N2OS/c1-9-3-11(4-10(2)13(9)16)5-14-6-12-7-15-8-17-12/h3-4,7-8,14,16H,5-6H2,1-2H3
InChIKeyYBHVXFXEZAFRPB-UHFFFAOYSA-N
XLogP2.76
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethoxy-4-[(1,3-thiazol-5-ylmethylamino)methyl]phenol
CID 115732274
1-(1,3-thiazol-5-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine
CID 115732227
1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 62758662
1-(4-bromophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 62760159
1-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 62759037
1-(3-chloro-4,5-dimethoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 115732289
1-(5-nitrothiophen-3-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 104589023
4-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]-2,6-dimethylphenol
CID 106370332
1-(2,3-dimethylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 104589113
4-fluoro-2-[(1,3-thiazol-5-ylmethylamino)methyl]phenol
CID 104589056
2-methoxy-6-[(1,3-thiazol-5-ylmethylamino)methyl]phenol
CID 104589124
3-[(1,3-thiazol-5-ylmethylamino)methyl]benzamide
CID 55109901

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[(1,3-thiazol-5-ylmethylamino)methyl]phenol?
The IUPAC name of 2,6-dimethyl-4-[(1,3-thiazol-5-ylmethylamino)methyl]phenol (CID 115732273) is 2,6-dimethyl-4-[(1,3-thiazol-5-ylmethylamino)methyl]phenol.
What is the SMILES notation for 2,6-dimethyl-4-[(1,3-thiazol-5-ylmethylamino)methyl]phenol?
The canonical SMILES for 2,6-dimethyl-4-[(1,3-thiazol-5-ylmethylamino)methyl]phenol is Cc1cc(CNCc2cncs2)cc(C)c1O.
What is the InChIKey of 2,6-dimethyl-4-[(1,3-thiazol-5-ylmethylamino)methyl]phenol?
The InChIKey is YBHVXFXEZAFRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-9-3-11(4-10(2)13(9)16)5-14-6-12-7-15-8-17-12/h3-4,7-8,14,16H,5-6H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-[(1,3-thiazol-5-ylmethylamino)methyl]phenol?
2,6-dimethyl-4-[(1,3-thiazol-5-ylmethylamino)methyl]phenol has a molecular weight of 248.35 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[(1,3-thiazol-5-ylmethylamino)methyl]phenol is sourced from PubChem (CID 115732273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).