(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(4-methoxy-3-methylphenyl)methanamine

C15H20N2OS — CID 55039474

IUPAC(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(4-methoxy-3-methylphenyl)methanamine
SMILESCCc1nc(C(N)c2ccc(OC)c(C)c2)sc1C
InChIInChI=1S/C15H20N2OS/c1-5-12-10(3)19-15(17-12)14(16)11-6-7-13(18-4)9(2)8-11/h6-8,14H,5,16H2,1-4H3
InChIKeyRSIQQMIYLOWDIB-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.38
Rot. Bonds4

About (4-ethyl-5-methyl-1,3-thiazol-2-yl)-(4-methoxy-3-methylphenyl)methanamine

(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(4-methoxy-3-methylphenyl)methanamine (PubChem CID 55039474) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is (4-ethyl-5-methyl-1,3-thiazol-2-yl)-(4-methoxy-3-methylphenyl)methanamine.

Molecular Properties

Compound Name(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(4-methoxy-3-methylphenyl)methanamine
PubChem CID55039474
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(4-methoxy-3-methylphenyl)methanamine
SMILESCCc1nc(C(N)c2ccc(OC)c(C)c2)sc1C
InChIInChI=1S/C15H20N2OS/c1-5-12-10(3)19-15(17-12)14(16)11-6-7-13(18-4)9(2)8-11/h6-8,14H,5,16H2,1-4H3
InChIKeyRSIQQMIYLOWDIB-UHFFFAOYSA-N
XLogP3.38
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-(4-methoxy-3-methylphenyl)ethanamine
CID 82066819
(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(3-propan-2-yloxyphenyl)methanamine
CID 61331308
(4-methoxy-3-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
CID 62133738
(4-methoxy-3-methylphenyl)-(4-methylphenyl)methanamine
CID 43379645
(4-methoxy-3-methylphenyl)-(5-methyl-3-pyridinyl)methanamine
CID 113297303
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 61332919
N-[(4-bromo-3-methylphenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 66480408
(3,4-dimethoxyphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine
CID 43559005
(1R)-1-(4-methoxy-3-methylphenyl)-2-methylbutan-1-amine
CID 171213719
(1S)-1-(4-methoxy-3-methylphenyl)-2-methylbutan-1-amine
CID 171233342
(4-methoxy-3-methylphenyl)-naphthalen-1-ylmethanamine
CID 43379648
(4-methoxy-3-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 114659334

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-5-methyl-1,3-thiazol-2-yl)-(4-methoxy-3-methylphenyl)methanamine?
The IUPAC name of (4-ethyl-5-methyl-1,3-thiazol-2-yl)-(4-methoxy-3-methylphenyl)methanamine (CID 55039474) is (4-ethyl-5-methyl-1,3-thiazol-2-yl)-(4-methoxy-3-methylphenyl)methanamine.
What is the SMILES notation for (4-ethyl-5-methyl-1,3-thiazol-2-yl)-(4-methoxy-3-methylphenyl)methanamine?
The canonical SMILES for (4-ethyl-5-methyl-1,3-thiazol-2-yl)-(4-methoxy-3-methylphenyl)methanamine is CCc1nc(C(N)c2ccc(OC)c(C)c2)sc1C.
What is the InChIKey of (4-ethyl-5-methyl-1,3-thiazol-2-yl)-(4-methoxy-3-methylphenyl)methanamine?
The InChIKey is RSIQQMIYLOWDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-5-12-10(3)19-15(17-12)14(16)11-6-7-13(18-4)9(2)8-11/h6-8,14H,5,16H2,1-4H3.
What are the key properties of (4-ethyl-5-methyl-1,3-thiazol-2-yl)-(4-methoxy-3-methylphenyl)methanamine?
(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(4-methoxy-3-methylphenyl)methanamine has a molecular weight of 276.41 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-5-methyl-1,3-thiazol-2-yl)-(4-methoxy-3-methylphenyl)methanamine is sourced from PubChem (CID 55039474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).