4-(phenoxymethyl)-1,3-thiazol-2-amine

C10H10N2OS — CID 2050028

IUPAC4-(phenoxymethyl)-1,3-thiazol-2-amine
SMILESNc1nc(COc2ccccc2)cs1
InChIInChI=1S/C10H10N2OS/c11-10-12-8(7-14-10)6-13-9-4-2-1-3-5-9/h1-5,7H,6H2,(H2,11,12)
InChIKeyOAQVZJWKWGNLRJ-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.30
Rot. Bonds3

About 4-(phenoxymethyl)-1,3-thiazol-2-amine

4-(phenoxymethyl)-1,3-thiazol-2-amine (PubChem CID 2050028) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 4-(phenoxymethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(phenoxymethyl)-1,3-thiazol-2-amine
PubChem CID2050028
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name4-(phenoxymethyl)-1,3-thiazol-2-amine
SMILESNc1nc(COc2ccccc2)cs1
InChIInChI=1S/C10H10N2OS/c11-10-12-8(7-14-10)6-13-9-4-2-1-3-5-9/h1-5,7H,6H2,(H2,11,12)
InChIKeyOAQVZJWKWGNLRJ-UHFFFAOYSA-N
XLogP2.30
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-Methoxyphenoxy)methyl]-1,3-thiazol-2-amine
CID 3845545
4-(2-(p-Tolyloxy)ethyl)thiazol-2-amine
CID 2050018
4-(4-Methoxy-phenoxymethyl)-thiazol-2-ylamine
CID 3870776
4-[(2-Naphthyloxy)methyl]-1,3-thiazol-2-amine
CID 973573
4-[(2-Methylphenoxy)methyl]-1,3-thiazol-2-amine
CID 4985772
4-[2-(4-Fluorophenoxy)ethyl]-1,3-thiazol-2-amine
CID 2050022
N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 830441
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-(3-Methoxyphenyl)ethynyl(thiazol)-2-amine
CID 51050147
4-[(4-Methylphenoxy)methyl]-1,3-thiazol-2-amine
CID 3865674
N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]acetamide
CID 2940526

Frequently Asked Questions

What is the IUPAC name of 4-(phenoxymethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(phenoxymethyl)-1,3-thiazol-2-amine (CID 2050028) is 4-(phenoxymethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(phenoxymethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(phenoxymethyl)-1,3-thiazol-2-amine is Nc1nc(COc2ccccc2)cs1.
What is the InChIKey of 4-(phenoxymethyl)-1,3-thiazol-2-amine?
The InChIKey is OAQVZJWKWGNLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c11-10-12-8(7-14-10)6-13-9-4-2-1-3-5-9/h1-5,7H,6H2,(H2,11,12).
What are the key properties of 4-(phenoxymethyl)-1,3-thiazol-2-amine?
4-(phenoxymethyl)-1,3-thiazol-2-amine has a molecular weight of 206.27 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenoxymethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 2050028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).