N-methyl-1-[4-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]ethanamine

C19H20N2OS — CID 4011290

IUPACN-methyl-1-[4-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]ethanamine
SMILESCNC(C)c1nc(-c2ccc(OCc3ccccc3)cc2)cs1
InChIInChI=1S/C19H20N2OS/c1-14(20-2)19-21-18(13-23-19)16-8-10-17(11-9-16)22-12-15-6-4-3-5-7-15/h3-11,13-14,20H,12H2,1-2H3
InChIKeyQPVNBMXOMVXHRA-UHFFFAOYSA-N
MW324.45 g/mol
LogP4.67
Rot. Bonds6

About N-methyl-1-[4-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]ethanamine

N-methyl-1-[4-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]ethanamine (PubChem CID 4011290) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is N-methyl-1-[4-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]ethanamine
PubChem CID4011290
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC NameN-methyl-1-[4-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]ethanamine
SMILESCNC(C)c1nc(-c2ccc(OCc3ccccc3)cc2)cs1
InChIInChI=1S/C19H20N2OS/c1-14(20-2)19-21-18(13-23-19)16-8-10-17(11-9-16)22-12-15-6-4-3-5-7-15/h3-11,13-14,20H,12H2,1-2H3
InChIKeyQPVNBMXOMVXHRA-UHFFFAOYSA-N
XLogP4.67
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of N-methyl-1-[4-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]ethanamine (CID 4011290) is N-methyl-1-[4-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[4-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for N-methyl-1-[4-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]ethanamine is CNC(C)c1nc(-c2ccc(OCc3ccccc3)cc2)cs1.
What is the InChIKey of N-methyl-1-[4-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]ethanamine?
The InChIKey is QPVNBMXOMVXHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-14(20-2)19-21-18(13-23-19)16-8-10-17(11-9-16)22-12-15-6-4-3-5-7-15/h3-11,13-14,20H,12H2,1-2H3.
What are the key properties of N-methyl-1-[4-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]ethanamine?
N-methyl-1-[4-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]ethanamine has a molecular weight of 324.45 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 4011290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).