4-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-2-amine

C11H11FN2OS — CID 2050022

IUPAC4-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-2-amine
SMILESNc1nc(CCOc2ccc(F)cc2)cs1
InChIInChI=1S/C11H11FN2OS/c12-8-1-3-10(4-2-8)15-6-5-9-7-16-11(13)14-9/h1-4,7H,5-6H2,(H2,13,14)
InChIKeyTWNHPZYHAHMIPB-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.49
Rot. Bonds4

About 4-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-2-amine

4-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-2-amine (PubChem CID 2050022) has the molecular formula C11H11FN2OS and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-2-amine
PubChem CID2050022
Molecular FormulaC11H11FN2OS
Molecular Weight238.29 g/mol
Exact Mass238.06
IUPAC Name4-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-2-amine
SMILESNc1nc(CCOc2ccc(F)cc2)cs1
InChIInChI=1S/C11H11FN2OS/c12-8-1-3-10(4-2-8)15-6-5-9-7-16-11(13)14-9/h1-4,7H,5-6H2,(H2,13,14)
InChIKeyTWNHPZYHAHMIPB-UHFFFAOYSA-N
XLogP2.49
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.49
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-(Phenoxymethyl)-1,3-thiazol-2-amine
CID 2050028
4-(2-(p-Tolyloxy)ethyl)thiazol-2-amine
CID 2050018
4-(4-Methoxy-phenoxymethyl)-thiazol-2-ylamine
CID 3870776
4-[(2-Methylphenoxy)methyl]-1,3-thiazol-2-amine
CID 4985772
4-methoxy-N-(4-(trifluoromethyl)thiazol-2-yl)benzenesulfonamide
CID 656127
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

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-2-amine (CID 2050022) is 4-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-2-amine is Nc1nc(CCOc2ccc(F)cc2)cs1.
What is the InChIKey of 4-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-2-amine?
The InChIKey is TWNHPZYHAHMIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2OS/c12-8-1-3-10(4-2-8)15-6-5-9-7-16-11(13)14-9/h1-4,7H,5-6H2,(H2,13,14).
What are the key properties of 4-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-2-amine?
4-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-2-amine has a molecular weight of 238.29 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 2050022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).