2-phenylmethoxy-1-[4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]ethanamine

C22H25N3OS — CID 134081933

IUPAC2-phenylmethoxy-1-[4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]ethanamine
SMILESNC(COCc1ccccc1)c1nc(-c2ccc(N3CCCC3)cc2)cs1
InChIInChI=1S/C22H25N3OS/c23-20(15-26-14-17-6-2-1-3-7-17)22-24-21(16-27-22)18-8-10-19(11-9-18)25-12-4-5-13-25/h1-3,6-11,16,20H,4-5,12-15,23H2
InChIKeyVLKRALQFYSIEFN-UHFFFAOYSA-N
MW379.53 g/mol
LogP4.63
Rot. Bonds7

About 2-phenylmethoxy-1-[4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]ethanamine

2-phenylmethoxy-1-[4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]ethanamine (PubChem CID 134081933) has the molecular formula C22H25N3OS and a molecular weight of 379.53 g/mol. Its IUPAC name is 2-phenylmethoxy-1-[4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-phenylmethoxy-1-[4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]ethanamine
PubChem CID134081933
Molecular FormulaC22H25N3OS
Molecular Weight379.53 g/mol
Exact Mass379.17
IUPAC Name2-phenylmethoxy-1-[4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]ethanamine
SMILESNC(COCc1ccccc1)c1nc(-c2ccc(N3CCCC3)cc2)cs1
InChIInChI=1S/C22H25N3OS/c23-20(15-26-14-17-6-2-1-3-7-17)22-24-21(16-27-22)18-8-10-19(11-9-18)25-12-4-5-13-25/h1-3,6-11,16,20H,4-5,12-15,23H2
InChIKeyVLKRALQFYSIEFN-UHFFFAOYSA-N
XLogP4.63
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-phenylmethoxyethanamine
CID 134081937
N-(2-phenylethyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
CID 58910960
2-(bromomethyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole
CID 175660209
1-[4-(5-chloro-3-methyl-1-benzothiophen-2-yl)-1,3-thiazol-2-yl]-2-phenylmethoxyethanamine
CID 134081930
[4-[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-yl]methanol
CID 66624295
N-methyl-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
CID 59088623
2-[2-[4-(4-methylphenyl)piperazin-1-yl]propyl]-4-phenyl-1,3-thiazole
CID 22762529
N-(2-methylsulfanylphenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
CID 59429751
benzyl 2-hydroxy-3-(4-piperidin-1-ylphenyl)propanoate
CID 57026029
2-phenyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 4224043
4-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-phenylethyl)-1,3-thiazol-2-amine
CID 58910616
4-[[4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
CID 10150294

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-1-[4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 2-phenylmethoxy-1-[4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]ethanamine (CID 134081933) is 2-phenylmethoxy-1-[4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 2-phenylmethoxy-1-[4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 2-phenylmethoxy-1-[4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]ethanamine is NC(COCc1ccccc1)c1nc(-c2ccc(N3CCCC3)cc2)cs1.
What is the InChIKey of 2-phenylmethoxy-1-[4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]ethanamine?
The InChIKey is VLKRALQFYSIEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3OS/c23-20(15-26-14-17-6-2-1-3-7-17)22-24-21(16-27-22)18-8-10-19(11-9-18)25-12-4-5-13-25/h1-3,6-11,16,20H,4-5,12-15,23H2.
What are the key properties of 2-phenylmethoxy-1-[4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]ethanamine?
2-phenylmethoxy-1-[4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]ethanamine has a molecular weight of 379.53 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-1-[4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 134081933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).