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

C16H22N2OS — CID 62796188

IUPACN-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(4-propan-2-yloxyphenyl)ethanamine
SMILESCNC(Cc1nc(C)cs1)c1ccc(OC(C)C)cc1
InChIInChI=1S/C16H22N2OS/c1-11(2)19-14-7-5-13(6-8-14)15(17-4)9-16-18-12(3)10-20-16/h5-8,10-11,15,17H,9H2,1-4H3
InChIKeyHHJYXINXNRMWBV-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.74
Rot. Bonds6

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

N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(4-propan-2-yloxyphenyl)ethanamine (PubChem CID 62796188) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(4-propan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(4-propan-2-yloxyphenyl)ethanamine
PubChem CID62796188
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(4-propan-2-yloxyphenyl)ethanamine
SMILESCNC(Cc1nc(C)cs1)c1ccc(OC(C)C)cc1
InChIInChI=1S/C16H22N2OS/c1-11(2)19-14-7-5-13(6-8-14)15(17-4)9-16-18-12(3)10-20-16/h5-8,10-11,15,17H,9H2,1-4H3
InChIKeyHHJYXINXNRMWBV-UHFFFAOYSA-N
XLogP3.74
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 62796362
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(5-methylthiophen-3-yl)ethanamine
CID 65104686
1-(2-methoxypyrimidin-5-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 112747522
1-(4-methoxy-2-methylphenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 65318322
1-(4-chloro-3-fluorophenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 107994603
1-(3-bromo-4-chlorophenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 113337124
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propoxyphenyl)ethanamine
CID 105019303
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-thiophen-2-ylethanamine
CID 62795850
2-(4-methyl-1,3-thiazol-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 60956803
1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 107288871
1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 105015149
[2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propan-2-yloxyphenyl)ethyl]hydrazine
CID 105214788

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(4-propan-2-yloxyphenyl)ethanamine?
The IUPAC name of N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(4-propan-2-yloxyphenyl)ethanamine (CID 62796188) is N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(4-propan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(4-propan-2-yloxyphenyl)ethanamine?
The canonical SMILES for N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(4-propan-2-yloxyphenyl)ethanamine is CNC(Cc1nc(C)cs1)c1ccc(OC(C)C)cc1.
What is the InChIKey of N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(4-propan-2-yloxyphenyl)ethanamine?
The InChIKey is HHJYXINXNRMWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-11(2)19-14-7-5-13(6-8-14)15(17-4)9-16-18-12(3)10-20-16/h5-8,10-11,15,17H,9H2,1-4H3.
What are the key properties of N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(4-propan-2-yloxyphenyl)ethanamine?
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(4-propan-2-yloxyphenyl)ethanamine has a molecular weight of 290.43 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(4-propan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 62796188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).