[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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Related Compounds

[4-cyclopropyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]methanamine
CID 82437103
(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)methanamine
CID 82435899
[2-[(4-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanol
CID 82436119
[2-[2-(4-ethylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methanamine
CID 82432505
[4-cyclopropyl-2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methanethiol
CID 82437168
[2-[2-(4-fluorophenoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 82434838
[4-ethyl-2-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine
CID 82429771
[4-cyclopropyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 82436502
2-[2-[(4-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]acetic acid
CID 82436126
1-[4-cyclopropyl-2-[(4-fluorophenoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82436579
[2-[(3-chlorophenoxy)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanol
CID 82436608
2-[2-[2-(4-chlorophenoxy)ethyl]-1,3-thiazol-4-yl]acetate
CID 7745518

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).