4-[(4-methoxyphenoxy)methyl]-1,3-thiazol-2-amine

C11H12N2O2S — CID 3870776

IUPAC4-[(4-methoxyphenoxy)methyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(OCc2csc(N)n2)cc1
InChIInChI=1S/C11H12N2O2S/c1-14-9-2-4-10(5-3-9)15-6-8-7-16-11(12)13-8/h2-5,7H,6H2,1H3,(H2,12,13)
InChIKeyCKPKSYMUFZYYSW-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.31
Rot. Bonds4

About 4-[(4-methoxyphenoxy)methyl]-1,3-thiazol-2-amine

4-[(4-methoxyphenoxy)methyl]-1,3-thiazol-2-amine (PubChem CID 3870776) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 4-[(4-methoxyphenoxy)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(4-methoxyphenoxy)methyl]-1,3-thiazol-2-amine
PubChem CID3870776
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name4-[(4-methoxyphenoxy)methyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(OCc2csc(N)n2)cc1
InChIInChI=1S/C11H12N2O2S/c1-14-9-2-4-10(5-3-9)15-6-8-7-16-11(12)13-8/h2-5,7H,6H2,1H3,(H2,12,13)
InChIKeyCKPKSYMUFZYYSW-UHFFFAOYSA-N
XLogP2.31
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-Methoxyphenoxy)methyl]-1,3-thiazol-2-amine
CID 3845545
4-(Phenoxymethyl)-1,3-thiazol-2-amine
CID 2050028
4-(2-(p-Tolyloxy)ethyl)thiazol-2-amine
CID 2050018
4-[(2-Methylphenoxy)methyl]-1,3-thiazol-2-amine
CID 4985772
4-[2-(4-Fluorophenoxy)ethyl]-1,3-thiazol-2-amine
CID 2050022
4-(4-Chloro-phenoxymethyl)-thiazol-2-ylamine
CID 3532154
2-[4-(2,3-Dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-2-yl]guanidine;hydrochloride
CID 12005580
4-[(4-Methylphenoxy)methyl]-1,3-thiazol-2-amine
CID 3865674
N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]acetamide
CID 2940526
N-[4-(2,3-Dihydro-benzo[1,4]dioxin-2-yl)-thiazol-2-yl]-guanidine
CID 3307790
N-(4-methylthiazol-2-yl)-4-phenoxy-butanamide
CID 2679227
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-phenoxyacetamide
CID 800090

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenoxy)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(4-methoxyphenoxy)methyl]-1,3-thiazol-2-amine (CID 3870776) is 4-[(4-methoxyphenoxy)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(4-methoxyphenoxy)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(4-methoxyphenoxy)methyl]-1,3-thiazol-2-amine is COc1ccc(OCc2csc(N)n2)cc1.
What is the InChIKey of 4-[(4-methoxyphenoxy)methyl]-1,3-thiazol-2-amine?
The InChIKey is CKPKSYMUFZYYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-14-9-2-4-10(5-3-9)15-6-8-7-16-11(12)13-8/h2-5,7H,6H2,1H3,(H2,12,13).
What are the key properties of 4-[(4-methoxyphenoxy)methyl]-1,3-thiazol-2-amine?
4-[(4-methoxyphenoxy)methyl]-1,3-thiazol-2-amine has a molecular weight of 236.30 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenoxy)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 3870776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).