4-(4-phenylmethoxyphenyl)-2-pyrrolidin-2-yl-1,3-thiazole

C20H20N2OS — CID 113229452

IUPAC4-(4-phenylmethoxyphenyl)-2-pyrrolidin-2-yl-1,3-thiazole
SMILESc1ccc(COc2ccc(-c3csc(C4CCCN4)n3)cc2)cc1
InChIInChI=1S/C20H20N2OS/c1-2-5-15(6-3-1)13-23-17-10-8-16(9-11-17)19-14-24-20(22-19)18-7-4-12-21-18/h1-3,5-6,8-11,14,18,21H,4,7,12-13H2
InChIKeyIUBFEDYZDLMXPC-UHFFFAOYSA-N
MW336.46 g/mol
LogP4.81
Rot. Bonds5

About 4-(4-phenylmethoxyphenyl)-2-pyrrolidin-2-yl-1,3-thiazole

4-(4-phenylmethoxyphenyl)-2-pyrrolidin-2-yl-1,3-thiazole (PubChem CID 113229452) has the molecular formula C20H20N2OS and a molecular weight of 336.46 g/mol. Its IUPAC name is 4-(4-phenylmethoxyphenyl)-2-pyrrolidin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(4-phenylmethoxyphenyl)-2-pyrrolidin-2-yl-1,3-thiazole
PubChem CID113229452
Molecular FormulaC20H20N2OS
Molecular Weight336.46 g/mol
Exact Mass336.13
IUPAC Name4-(4-phenylmethoxyphenyl)-2-pyrrolidin-2-yl-1,3-thiazole
SMILESc1ccc(COc2ccc(-c3csc(C4CCCN4)n3)cc2)cc1
InChIInChI=1S/C20H20N2OS/c1-2-5-15(6-3-1)13-23-17-10-8-16(9-11-17)19-14-24-20(22-19)18-7-4-12-21-18/h1-3,5-6,8-11,14,18,21H,4,7,12-13H2
InChIKeyIUBFEDYZDLMXPC-UHFFFAOYSA-N
XLogP4.81
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-ethoxyphenyl)-2-pyrrolidin-2-yl-1,3-thiazole
CID 62539820
(2R)-2-(4-phenylmethoxyphenyl)pyrrolidine;hydrochloride
CID 171196054
(2S)-2-(4-phenylmethoxyphenyl)pyrrolidine;hydrochloride
CID 171196463
2-methyl-4-(4-phenylmethoxyphenyl)-1,3-thiazole
CID 132533720
2-(chloromethyl)-4-(4-phenylmethoxyphenyl)-1,3-thiazole
CID 62922890
1-(4-phenylmethoxyphenyl)-3-pyrrolidin-2-ylimidazo[1,5-a]pyrazin-8-amine
CID 146255696
5-cyclopentyl-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole
CID 146533306
N,N-dimethyl-4-(2-piperidin-2-yl-1,3-thiazol-4-yl)aniline
CID 67356783
5-phenylmethoxy-2-[(2R)-pyrrolidin-2-yl]phenol
CID 171196134
5-phenylmethoxy-2-[(2S)-pyrrolidin-2-yl]phenol
CID 171196544
4-(3,4-dichlorophenyl)-2-piperidin-2-yl-1,3-thiazole
CID 62539823
5-pyrrolidin-2-yl-3-[4-[4-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)phenyl]phenyl]-1,2,4-oxadiazole
CID 67225116

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylmethoxyphenyl)-2-pyrrolidin-2-yl-1,3-thiazole?
The IUPAC name of 4-(4-phenylmethoxyphenyl)-2-pyrrolidin-2-yl-1,3-thiazole (CID 113229452) is 4-(4-phenylmethoxyphenyl)-2-pyrrolidin-2-yl-1,3-thiazole.
What is the SMILES notation for 4-(4-phenylmethoxyphenyl)-2-pyrrolidin-2-yl-1,3-thiazole?
The canonical SMILES for 4-(4-phenylmethoxyphenyl)-2-pyrrolidin-2-yl-1,3-thiazole is c1ccc(COc2ccc(-c3csc(C4CCCN4)n3)cc2)cc1.
What is the InChIKey of 4-(4-phenylmethoxyphenyl)-2-pyrrolidin-2-yl-1,3-thiazole?
The InChIKey is IUBFEDYZDLMXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2OS/c1-2-5-15(6-3-1)13-23-17-10-8-16(9-11-17)19-14-24-20(22-19)18-7-4-12-21-18/h1-3,5-6,8-11,14,18,21H,4,7,12-13H2.
What are the key properties of 4-(4-phenylmethoxyphenyl)-2-pyrrolidin-2-yl-1,3-thiazole?
4-(4-phenylmethoxyphenyl)-2-pyrrolidin-2-yl-1,3-thiazole has a molecular weight of 336.46 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylmethoxyphenyl)-2-pyrrolidin-2-yl-1,3-thiazole is sourced from PubChem (CID 113229452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).