N-[4-(4-methyl-1,3-thiazol-5-yl)phenoxy]methanamine

C11H12N2OS — CID 142573108

IUPACN-[4-(4-methyl-1,3-thiazol-5-yl)phenoxy]methanamine
SMILESCNOc1ccc(-c2scnc2C)cc1
InChIInChI=1S/C11H12N2OS/c1-8-11(15-7-13-8)9-3-5-10(6-4-9)14-12-2/h3-7,12H,1-2H3
InChIKeyPTIYYMNGVSZUCI-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.63
Rot. Bonds3

About N-[4-(4-methyl-1,3-thiazol-5-yl)phenoxy]methanamine

N-[4-(4-methyl-1,3-thiazol-5-yl)phenoxy]methanamine (PubChem CID 142573108) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is N-[4-(4-methyl-1,3-thiazol-5-yl)phenoxy]methanamine.

Molecular Properties

Compound NameN-[4-(4-methyl-1,3-thiazol-5-yl)phenoxy]methanamine
PubChem CID142573108
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC NameN-[4-(4-methyl-1,3-thiazol-5-yl)phenoxy]methanamine
SMILESCNOc1ccc(-c2scnc2C)cc1
InChIInChI=1S/C11H12N2OS/c1-8-11(15-7-13-8)9-3-5-10(6-4-9)14-12-2/h3-7,12H,1-2H3
InChIKeyPTIYYMNGVSZUCI-UHFFFAOYSA-N
XLogP2.63
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;4-methyl-5-(4-methylphenyl)-1,3-thiazole
CID 156851577
(1S)-N-methyl-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine;hydrochloride
CID 156873324
formaldehyde;N-methyl-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine
CID 163374182
2-(methylaminooxy)-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine
CID 176572970
4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)phenoxy]pyrrolidine-2-carboxamide
CID 175840543
methyl 2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate
CID 168910064
1-cyclopropyl-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]hydrazine;hydrochloride
CID 175127479
[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methanamine;hydrochloride
CID 131801125
N,N-dimethyl-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine
CID 155154777
N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]ethanamine
CID 153380249
methyl (2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate
CID 168909958
ethyl-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]carbamic acid
CID 126602141

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methyl-1,3-thiazol-5-yl)phenoxy]methanamine?
The IUPAC name of N-[4-(4-methyl-1,3-thiazol-5-yl)phenoxy]methanamine (CID 142573108) is N-[4-(4-methyl-1,3-thiazol-5-yl)phenoxy]methanamine.
What is the SMILES notation for N-[4-(4-methyl-1,3-thiazol-5-yl)phenoxy]methanamine?
The canonical SMILES for N-[4-(4-methyl-1,3-thiazol-5-yl)phenoxy]methanamine is CNOc1ccc(-c2scnc2C)cc1.
What is the InChIKey of N-[4-(4-methyl-1,3-thiazol-5-yl)phenoxy]methanamine?
The InChIKey is PTIYYMNGVSZUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-8-11(15-7-13-8)9-3-5-10(6-4-9)14-12-2/h3-7,12H,1-2H3.
What are the key properties of N-[4-(4-methyl-1,3-thiazol-5-yl)phenoxy]methanamine?
N-[4-(4-methyl-1,3-thiazol-5-yl)phenoxy]methanamine has a molecular weight of 220.30 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methyl-1,3-thiazol-5-yl)phenoxy]methanamine is sourced from PubChem (CID 142573108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).