5-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1,3-thiazole

C16H20N2OS — CID 10589458

IUPAC5-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1,3-thiazole
SMILESc1ncc(Cc2ccc(OCCN3CCCC3)cc2)s1
InChIInChI=1S/C16H20N2OS/c1-2-8-18(7-1)9-10-19-15-5-3-14(4-6-15)11-16-12-17-13-20-16/h3-6,12-13H,1-2,7-11H2
InChIKeyCUOVSRHGTNJBTE-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.21
Rot. Bonds6

About 5-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1,3-thiazole

5-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1,3-thiazole (PubChem CID 10589458) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 5-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1,3-thiazole
PubChem CID10589458
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name5-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1,3-thiazole
SMILESc1ncc(Cc2ccc(OCCN3CCCC3)cc2)s1
InChIInChI=1S/C16H20N2OS/c1-2-8-18(7-1)9-10-19-15-5-3-14(4-6-15)11-16-12-17-13-20-16/h3-6,12-13H,1-2,7-11H2
InChIKeyCUOVSRHGTNJBTE-UHFFFAOYSA-N
XLogP3.21
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Chloro-5-[[4-(1,1-dimethylethyl)phenoxy]methyl]thiazole
CID 1484591
2-[4-(2-Pyrrolidin-1-yl-ethoxy)-benzyl]-thiazole
CID 10684790
4-[4-(2-Pyrrolidin-1-yl-ethoxy)-benzyl]-thiazole
CID 10708509
(E)-3-fluoro-2-[[4-(2-methyl-1,3-thiazol-5-yl)phenoxy]methyl]prop-2-en-1-amine
CID 146512250
(Z)-3-fluoro-2-[[4-(2-methyl-1,3-thiazol-5-yl)phenoxy]methyl]prop-2-en-1-amine
CID 162369023
5-(4-Propoxyphenyl)thiazol-2-amine
CID 2215607
4-{[2-(4-Methylphenoxy)-1,3-thiazol-5-yl]methyl}morpholine
CID 2768168
2,6-Dimethyl-4-{[2-(4-methylphenoxy)-1,3-thiazol-5-yl]methyl}morpholine
CID 2768180
5-(2-Methoxyethyl)-3-[2-[4-[[4-[2-[5-(2-methoxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]ethoxy]phenyl]methyl]phenoxy]ethyl]-4-methyl-1,3-thiazol-3-ium dichloride
CID 71520840
2-Chloro-5-[(4-ethylphenoxy)methyl]-1,3-thiazole
CID 3477814
N-ethyl-2-(4-methylphenoxy)-N-(1,3-thiazol-5-ylmethyl)acetamide
CID 67511043
5-(4-Methoxyphenyl)thiazole
CID 69645159

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1,3-thiazole?
The IUPAC name of 5-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1,3-thiazole (CID 10589458) is 5-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1,3-thiazole.
What is the SMILES notation for 5-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1,3-thiazole?
The canonical SMILES for 5-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1,3-thiazole is c1ncc(Cc2ccc(OCCN3CCCC3)cc2)s1.
What is the InChIKey of 5-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1,3-thiazole?
The InChIKey is CUOVSRHGTNJBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-2-8-18(7-1)9-10-19-15-5-3-14(4-6-15)11-16-12-17-13-20-16/h3-6,12-13H,1-2,7-11H2.
What are the key properties of 5-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1,3-thiazole?
5-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1,3-thiazole has a molecular weight of 288.42 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1,3-thiazole is sourced from PubChem (CID 10589458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).