2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanamine

C12H13ClN2OS — CID 28918170

IUPAC2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanamine
SMILESNCCc1csc(COc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H13ClN2OS/c13-9-1-3-11(4-2-9)16-7-12-15-10(5-6-14)8-17-12/h1-4,8H,5-7,14H2
InChIKeyWBBUJOIFZVSOST-UHFFFAOYSA-N
MW268.77 g/mol
LogP2.88
Rot. Bonds5

About 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanamine

2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanamine (PubChem CID 28918170) has the molecular formula C12H13ClN2OS and a molecular weight of 268.77 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanamine
PubChem CID28918170
Molecular FormulaC12H13ClN2OS
Molecular Weight268.77 g/mol
Exact Mass268.04
IUPAC Name2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanamine
SMILESNCCc1csc(COc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H13ClN2OS/c13-9-1-3-11(4-2-9)16-7-12-15-10(5-6-14)8-17-12/h1-4,8H,5-7,14H2
InChIKeyWBBUJOIFZVSOST-UHFFFAOYSA-N
XLogP2.88
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.77
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanamine;hydrochloride
CID 127501309
2-[2-[2-(4-methylphenoxy)ethyl]-1,3-thiazol-4-yl]ethanamine
CID 28918290
N-(1-aminopropan-2-yl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-methylacetamide
CID 119584983
N-(2-amino-1-cyclopropylethyl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 119617460
3-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methylamino]-2-methylpropan-1-ol
CID 111122759
1-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 2744804
2-[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]ethanamine
CID 28918214
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119608769
4-[[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methylamino]methyl]benzoic acid
CID 99796604
[4-[(3,4-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]methanamine
CID 62484343
2-[2-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenyl]acetamide
CID 55603959
(2S)-2-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methylamino]-3-methylbutanoic acid
CID 120510644

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanamine (CID 28918170) is 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanamine is NCCc1csc(COc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanamine?
The InChIKey is WBBUJOIFZVSOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2OS/c13-9-1-3-11(4-2-9)16-7-12-15-10(5-6-14)8-17-12/h1-4,8H,5-7,14H2.
What are the key properties of 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanamine?
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanamine has a molecular weight of 268.77 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 28918170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).