N-methyl-1-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]ethanamine

C15H20N2OS — CID 62653566

IUPACN-methyl-1-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]ethanamine
SMILESCNC(C)c1cnc(-c2ccc(OC(C)C)cc2)s1
InChIInChI=1S/C15H20N2OS/c1-10(2)18-13-7-5-12(6-8-13)15-17-9-14(19-15)11(3)16-4/h5-11,16H,1-4H3
InChIKeyBPRWOYMHUPROHT-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.88
Rot. Bonds5

About N-methyl-1-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]ethanamine

N-methyl-1-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 62653566) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is N-methyl-1-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID62653566
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC NameN-methyl-1-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]ethanamine
SMILESCNC(C)c1cnc(-c2ccc(OC(C)C)cc2)s1
InChIInChI=1S/C15H20N2OS/c1-10(2)18-13-7-5-12(6-8-13)15-17-9-14(19-15)11(3)16-4/h5-11,16H,1-4H3
InChIKeyBPRWOYMHUPROHT-UHFFFAOYSA-N
XLogP3.88
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of N-methyl-1-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]ethanamine (CID 62653566) is N-methyl-1-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for N-methyl-1-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]ethanamine is CNC(C)c1cnc(-c2ccc(OC(C)C)cc2)s1.
What is the InChIKey of N-methyl-1-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is BPRWOYMHUPROHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-10(2)18-13-7-5-12(6-8-13)15-17-9-14(19-15)11(3)16-4/h5-11,16H,1-4H3.
What are the key properties of N-methyl-1-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]ethanamine?
N-methyl-1-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 276.41 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 62653566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).