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

C15H18N2OS — CID 82437103

IUPAC[4-cyclopropyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]methanamine
SMILESNCc1sc(CCOc2ccccc2)nc1C1CC1
InChIInChI=1S/C15H18N2OS/c16-10-13-15(11-6-7-11)17-14(19-13)8-9-18-12-4-2-1-3-5-12/h1-5,11H,6-10,16H2
InChIKeyWIDDOULOANCZBJ-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.10
Rot. Bonds6

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

[4-cyclopropyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 82437103) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is [4-cyclopropyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-cyclopropyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID82437103
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name[4-cyclopropyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]methanamine
SMILESNCc1sc(CCOc2ccccc2)nc1C1CC1
InChIInChI=1S/C15H18N2OS/c16-10-13-15(11-6-7-11)17-14(19-13)8-9-18-12-4-2-1-3-5-12/h1-5,11H,6-10,16H2
InChIKeyWIDDOULOANCZBJ-UHFFFAOYSA-N
XLogP3.10
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-cyclopropyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]methanamine with MolForge

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Related Compounds

[2-[2-(4-chlorophenoxy)ethyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanamine
CID 82437189
[4-cyclopropyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 82436502
1-[4-cyclopropyl-2-(phenoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82436409
[4-cyclopropyl-2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methanethiol
CID 82437168
(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)methanamine
CID 82435899
[4-cyclopropyl-2-(2-phenylpropan-2-yl)-1,3-thiazol-5-yl]methanamine
CID 114361923
[2-[2-(4-ethylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methanamine
CID 82432505
[4-cyclopropyl-2-(3-phenylpentan-3-yl)-1,3-thiazol-5-yl]methanamine
CID 114361924
[4-cyclopropyl-2-(2-ethoxyphenyl)-1,3-thiazol-5-yl]methanamine
CID 82437246
5-ethyl-2-(2-phenoxyethyl)-1,3-thiazole-4-carboxylic acid
CID 117098876
[2-[2-(4-fluorophenoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 82434838
4-cyclopropyl-2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazole-5-carbonitrile
CID 82437143

Frequently Asked Questions

What is the IUPAC name of [4-cyclopropyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-cyclopropyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]methanamine (CID 82437103) is [4-cyclopropyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-cyclopropyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-cyclopropyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]methanamine is NCc1sc(CCOc2ccccc2)nc1C1CC1.
What is the InChIKey of [4-cyclopropyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is WIDDOULOANCZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c16-10-13-15(11-6-7-11)17-14(19-13)8-9-18-12-4-2-1-3-5-12/h1-5,11H,6-10,16H2.
What are the key properties of [4-cyclopropyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]methanamine?
[4-cyclopropyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 274.39 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 82437103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).