2-[[(5-chloro-1,3-thiazol-2-yl)amino]methyl]-5-methoxyphenol

C11H11ClN2O2S — CID 145483652

IUPAC2-[[(5-chloro-1,3-thiazol-2-yl)amino]methyl]-5-methoxyphenol
SMILESCOc1ccc(CNc2ncc(Cl)s2)c(O)c1
InChIInChI=1S/C11H11ClN2O2S/c1-16-8-3-2-7(9(15)4-8)5-13-11-14-6-10(12)17-11/h2-4,6,15H,5H2,1H3,(H,13,14)
InChIKeyHDTPDLMIOPHEGW-UHFFFAOYSA-N
MW270.74 g/mol
LogP3.12
Rot. Bonds4

About 2-[[(5-chloro-1,3-thiazol-2-yl)amino]methyl]-5-methoxyphenol

2-[[(5-chloro-1,3-thiazol-2-yl)amino]methyl]-5-methoxyphenol (PubChem CID 145483652) has the molecular formula C11H11ClN2O2S and a molecular weight of 270.74 g/mol. Its IUPAC name is 2-[[(5-chloro-1,3-thiazol-2-yl)amino]methyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[[(5-chloro-1,3-thiazol-2-yl)amino]methyl]-5-methoxyphenol
PubChem CID145483652
Molecular FormulaC11H11ClN2O2S
Molecular Weight270.74 g/mol
Exact Mass270.02
IUPAC Name2-[[(5-chloro-1,3-thiazol-2-yl)amino]methyl]-5-methoxyphenol
SMILESCOc1ccc(CNc2ncc(Cl)s2)c(O)c1
InChIInChI=1S/C11H11ClN2O2S/c1-16-8-3-2-7(9(15)4-8)5-13-11-14-6-10(12)17-11/h2-4,6,15H,5H2,1H3,(H,13,14)
InChIKeyHDTPDLMIOPHEGW-UHFFFAOYSA-N
XLogP3.12
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.74
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-2-[(2,4,6-trichloroanilino)methyl]phenol
CID 63425254
2-[[(5-chloro-1,3-benzothiazol-4-yl)amino]methyl]-5-methoxyphenol
CID 61262504
2-[(3-chloro-4-methoxyanilino)methyl]-5-methoxyphenol
CID 61268573
5-methoxy-2-[[(5-methyl-3-pyridinyl)amino]methyl]phenol
CID 103824039
2-[(4-fluoroanilino)methyl]-5-methoxyphenol
CID 61270048
2-[(2,4-dimethoxyanilino)methyl]-5-methoxyphenol
CID 61268572
2-(ethylaminomethyl)-5-methoxyphenol
CID 39257600
2-[(cyclobutylamino)methyl]-5-methoxyphenol
CID 62414161
2-[[(2-chlorophenyl)methylamino]methyl]-5-methoxyphenol
CID 61268747
5-chloro-N-[(4-methylthiophen-3-yl)methyl]-1,3-thiazol-2-amine
CID 130670323
2-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]-5-methoxyphenol
CID 64549738
5-methoxy-2-[(pyridin-1-ium-2-ylamino)methyl]phenol
CID 7282837

Frequently Asked Questions

What is the IUPAC name of 2-[[(5-chloro-1,3-thiazol-2-yl)amino]methyl]-5-methoxyphenol?
The IUPAC name of 2-[[(5-chloro-1,3-thiazol-2-yl)amino]methyl]-5-methoxyphenol (CID 145483652) is 2-[[(5-chloro-1,3-thiazol-2-yl)amino]methyl]-5-methoxyphenol.
What is the SMILES notation for 2-[[(5-chloro-1,3-thiazol-2-yl)amino]methyl]-5-methoxyphenol?
The canonical SMILES for 2-[[(5-chloro-1,3-thiazol-2-yl)amino]methyl]-5-methoxyphenol is COc1ccc(CNc2ncc(Cl)s2)c(O)c1.
What is the InChIKey of 2-[[(5-chloro-1,3-thiazol-2-yl)amino]methyl]-5-methoxyphenol?
The InChIKey is HDTPDLMIOPHEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2S/c1-16-8-3-2-7(9(15)4-8)5-13-11-14-6-10(12)17-11/h2-4,6,15H,5H2,1H3,(H,13,14).
What are the key properties of 2-[[(5-chloro-1,3-thiazol-2-yl)amino]methyl]-5-methoxyphenol?
2-[[(5-chloro-1,3-thiazol-2-yl)amino]methyl]-5-methoxyphenol has a molecular weight of 270.74 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-chloro-1,3-thiazol-2-yl)amino]methyl]-5-methoxyphenol is sourced from PubChem (CID 145483652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).