1-[2-[(2-chlorophenoxy)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]ethanamine

C15H17ClN2OS — CID 82436599

IUPAC1-[2-[(2-chlorophenoxy)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]ethanamine
SMILESCC(N)c1sc(COc2ccccc2Cl)nc1C1CC1
InChIInChI=1S/C15H17ClN2OS/c1-9(17)15-14(10-6-7-10)18-13(20-15)8-19-12-5-3-2-4-11(12)16/h2-5,9-10H,6-8,17H2,1H3
InChIKeyHTIZZQFYSLKVES-UHFFFAOYSA-N
MW308.83 g/mol
LogP4.27
Rot. Bonds5

About 1-[2-[(2-chlorophenoxy)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]ethanamine

1-[2-[(2-chlorophenoxy)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]ethanamine (PubChem CID 82436599) has the molecular formula C15H17ClN2OS and a molecular weight of 308.83 g/mol. Its IUPAC name is 1-[2-[(2-chlorophenoxy)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-[(2-chlorophenoxy)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]ethanamine
PubChem CID82436599
Molecular FormulaC15H17ClN2OS
Molecular Weight308.83 g/mol
Exact Mass308.08
IUPAC Name1-[2-[(2-chlorophenoxy)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]ethanamine
SMILESCC(N)c1sc(COc2ccccc2Cl)nc1C1CC1
InChIInChI=1S/C15H17ClN2OS/c1-9(17)15-14(10-6-7-10)18-13(20-15)8-19-12-5-3-2-4-11(12)16/h2-5,9-10H,6-8,17H2,1H3
InChIKeyHTIZZQFYSLKVES-UHFFFAOYSA-N
XLogP4.27
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-cyclopropyl-2-[(2-ethylphenoxy)methyl]-1,3-thiazol-5-yl]ethanamine
CID 82436492
1-[2-[(2,4-dichlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 20982828
1-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]ethanamine
CID 82437555
2-[(2-chlorophenoxy)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 20982853
[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 82298972
[2-[(2-chlorophenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 82429066
1-[2-[(2-ethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanamine
CID 82440458
[2-[(2-chlorophenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 82440553
(2S)-1-(2-chlorophenoxy)propan-2-amine
CID 42221597
1-[4-cyclopropyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]ethanamine
CID 82437884
2-[2-[(2-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]acetonitrile
CID 82426179
1-(2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-yl)ethanamine
CID 82436993

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-chlorophenoxy)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[2-[(2-chlorophenoxy)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]ethanamine (CID 82436599) is 1-[2-[(2-chlorophenoxy)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-[(2-chlorophenoxy)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-[(2-chlorophenoxy)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]ethanamine is CC(N)c1sc(COc2ccccc2Cl)nc1C1CC1.
What is the InChIKey of 1-[2-[(2-chlorophenoxy)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]ethanamine?
The InChIKey is HTIZZQFYSLKVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2OS/c1-9(17)15-14(10-6-7-10)18-13(20-15)8-19-12-5-3-2-4-11(12)16/h2-5,9-10H,6-8,17H2,1H3.
What are the key properties of 1-[2-[(2-chlorophenoxy)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]ethanamine?
1-[2-[(2-chlorophenoxy)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]ethanamine has a molecular weight of 308.83 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-chlorophenoxy)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 82436599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).