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

C16H20N2OS — CID 10684790

IUPAC2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1,3-thiazole
SMILESc1csc(Cc2ccc(OCCN3CCCC3)cc2)n1
InChIInChI=1S/C16H20N2OS/c1-2-9-18(8-1)10-11-19-15-5-3-14(4-6-15)13-16-17-7-12-20-16/h3-7,12H,1-2,8-11,13H2
InChIKeyBWRIUOMUWPGVPO-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.21
Rot. Bonds6

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

2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1,3-thiazole (PubChem CID 10684790) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1,3-thiazole
PubChem CID10684790
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1,3-thiazole
SMILESc1csc(Cc2ccc(OCCN3CCCC3)cc2)n1
InChIInChI=1S/C16H20N2OS/c1-2-9-18(8-1)10-11-19-15-5-3-14(4-6-15)13-16-17-7-12-20-16/h3-7,12H,1-2,8-11,13H2
InChIKeyBWRIUOMUWPGVPO-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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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1,3-thiazole (CID 10684790) is 2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1,3-thiazole is c1csc(Cc2ccc(OCCN3CCCC3)cc2)n1.
What is the InChIKey of 2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1,3-thiazole?
The InChIKey is BWRIUOMUWPGVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-2-9-18(8-1)10-11-19-15-5-3-14(4-6-15)13-16-17-7-12-20-16/h3-7,12H,1-2,8-11,13H2.
What are the key properties of 2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1,3-thiazole?
2-[[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 2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1,3-thiazole is sourced from PubChem (CID 10684790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).