N-[[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine

C18H24N2O2S — CID 125171154

IUPACN-[[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
SMILESCc1ncsc1CCOc1cccc(CNC[C@H]2CCCO2)c1
InChIInChI=1S/C18H24N2O2S/c1-14-18(23-13-20-14)7-9-22-16-5-2-4-15(10-16)11-19-12-17-6-3-8-21-17/h2,4-5,10,13,17,19H,3,6-9,11-12H2,1H3/t17-/m1/s1
InChIKeyLOURKZVDHSOFQN-QGZVFWFLSA-N
MW332.47 g/mol
LogP3.34
Rot. Bonds8

About N-[[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine

N-[[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine (PubChem CID 125171154) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is N-[[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine.

Molecular Properties

Compound NameN-[[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
PubChem CID125171154
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC NameN-[[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
SMILESCc1ncsc1CCOc1cccc(CNC[C@H]2CCCO2)c1
InChIInChI=1S/C18H24N2O2S/c1-14-18(23-13-20-14)7-9-22-16-5-2-4-15(10-16)11-19-12-17-6-3-8-21-17/h2,4-5,10,13,17,19H,3,6-9,11-12H2,1H3/t17-/m1/s1
InChIKeyLOURKZVDHSOFQN-QGZVFWFLSA-N
XLogP3.34
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine?
The IUPAC name of N-[[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine (CID 125171154) is N-[[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine.
What is the SMILES notation for N-[[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine?
The canonical SMILES for N-[[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine is Cc1ncsc1CCOc1cccc(CNC[C@H]2CCCO2)c1.
What is the InChIKey of N-[[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine?
The InChIKey is LOURKZVDHSOFQN-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-14-18(23-13-20-14)7-9-22-16-5-2-4-15(10-16)11-19-12-17-6-3-8-21-17/h2,4-5,10,13,17,19H,3,6-9,11-12H2,1H3/t17-/m1/s1.
What are the key properties of N-[[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine?
N-[[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine has a molecular weight of 332.47 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine is sourced from PubChem (CID 125171154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).