[2-[2-(4-chlorophenoxy)ethyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanamine

C15H17ClN2OS — CID 82437189

IUPAC[2-[2-(4-chlorophenoxy)ethyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanamine
SMILESNCc1sc(CCOc2ccc(Cl)cc2)nc1C1CC1
InChIInChI=1S/C15H17ClN2OS/c16-11-3-5-12(6-4-11)19-8-7-14-18-15(10-1-2-10)13(9-17)20-14/h3-6,10H,1-2,7-9,17H2
InChIKeyHNXZCRVRIHOARG-UHFFFAOYSA-N
MW308.83 g/mol
LogP3.75
Rot. Bonds6

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

[2-[2-(4-chlorophenoxy)ethyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanamine (PubChem CID 82437189) has the molecular formula C15H17ClN2OS and a molecular weight of 308.83 g/mol. Its IUPAC name is [2-[2-(4-chlorophenoxy)ethyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[2-(4-chlorophenoxy)ethyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanamine
PubChem CID82437189
Molecular FormulaC15H17ClN2OS
Molecular Weight308.83 g/mol
Exact Mass308.08
IUPAC Name[2-[2-(4-chlorophenoxy)ethyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanamine
SMILESNCc1sc(CCOc2ccc(Cl)cc2)nc1C1CC1
InChIInChI=1S/C15H17ClN2OS/c16-11-3-5-12(6-4-11)19-8-7-14-18-15(10-1-2-10)13(9-17)20-14/h3-6,10H,1-2,7-9,17H2
InChIKeyHNXZCRVRIHOARG-UHFFFAOYSA-N
XLogP3.75
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-chlorophenoxy)ethyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-[2-(4-chlorophenoxy)ethyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanamine (CID 82437189) is [2-[2-(4-chlorophenoxy)ethyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-[2-(4-chlorophenoxy)ethyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-[2-(4-chlorophenoxy)ethyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanamine is NCc1sc(CCOc2ccc(Cl)cc2)nc1C1CC1.
What is the InChIKey of [2-[2-(4-chlorophenoxy)ethyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanamine?
The InChIKey is HNXZCRVRIHOARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2OS/c16-11-3-5-12(6-4-11)19-8-7-14-18-15(10-1-2-10)13(9-17)20-14/h3-6,10H,1-2,7-9,17H2.
What are the key properties of [2-[2-(4-chlorophenoxy)ethyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanamine?
[2-[2-(4-chlorophenoxy)ethyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanamine has a molecular weight of 308.83 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-chlorophenoxy)ethyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 82437189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).