N-[[4-ethyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine

C17H24N2OS — CID 82429699

IUPACN-[[4-ethyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCc1nc(CCOc2ccccc2)sc1CNC(C)C
InChIInChI=1S/C17H24N2OS/c1-4-15-16(12-18-13(2)3)21-17(19-15)10-11-20-14-8-6-5-7-9-14/h5-9,13,18H,4,10-12H2,1-3H3
InChIKeyAFPPNRATOCBYGP-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.83
Rot. Bonds8

About N-[[4-ethyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine

N-[[4-ethyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 82429699) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[[4-ethyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-ethyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID82429699
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN-[[4-ethyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCc1nc(CCOc2ccccc2)sc1CNC(C)C
InChIInChI=1S/C17H24N2OS/c1-4-15-16(12-18-13(2)3)21-17(19-15)10-11-20-14-8-6-5-7-9-14/h5-9,13,18H,4,10-12H2,1-3H3
InChIKeyAFPPNRATOCBYGP-UHFFFAOYSA-N
XLogP3.83
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-ethyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]ethanamine
CID 82429713
N-[[4-ethyl-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82428819
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 103150582
N-[[4-ethyl-2-[(2-fluorophenoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82429024
[4-ethyl-2-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine
CID 82429771
2-[4-ethyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]propan-2-ol
CID 82429708
5-ethyl-2-(2-phenoxyethyl)-1,3-thiazole-4-carboxylic acid
CID 117098876
[4-ethyl-2-[2-(3-methylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine
CID 82429739
N-[[2-(2-ethoxyethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 106815408
N-[[4-ethyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82429278
N-[[4-ethyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 82431144
N-[[4-ethyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82431139

Frequently Asked Questions

What is the IUPAC name of N-[[4-ethyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-ethyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 82429699) is N-[[4-ethyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-ethyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-ethyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is CCc1nc(CCOc2ccccc2)sc1CNC(C)C.
What is the InChIKey of N-[[4-ethyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is AFPPNRATOCBYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-4-15-16(12-18-13(2)3)21-17(19-15)10-11-20-14-8-6-5-7-9-14/h5-9,13,18H,4,10-12H2,1-3H3.
What are the key properties of N-[[4-ethyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[4-ethyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 304.46 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-ethyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 82429699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).