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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Related Compounds

N-methyl-1-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]ethanamine
CID 104823163
2-(4-propan-2-yloxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 60916803
N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 61282527
1-[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 107125231
1-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 62653372
(1R)-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 30049099
N-methyl-1-[2-(3-nitrophenyl)-1,3-thiazol-5-yl]ethanamine
CID 55102490
1-[2-(2,3-dimethylphenyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 62653754
N-[1-[4-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]oxy]phenyl]ethyl]cyclobutanecarboxamide
CID 57411859
1-[2-(4-bromo-5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 102843629
N-[1-[2-(4-cyclopropylphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 79980515
1-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 81277555

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).