2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-1-(4-methoxyphenyl)propan-2-amine

C17H24N2OS — CID 63271323

IUPAC2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-1-(4-methoxyphenyl)propan-2-amine
SMILESCCNC(C)(Cc1ccc(OC)cc1)c1nc(C)c(C)s1
InChIInChI=1S/C17H24N2OS/c1-6-18-17(4,16-19-12(2)13(3)21-16)11-14-7-9-15(20-5)10-8-14/h7-10,18H,6,11H2,1-5H3
InChIKeyMOEKXOROCVBRGZ-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.84
Rot. Bonds6

About 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-1-(4-methoxyphenyl)propan-2-amine

2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-1-(4-methoxyphenyl)propan-2-amine (PubChem CID 63271323) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-1-(4-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-1-(4-methoxyphenyl)propan-2-amine
PubChem CID63271323
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-1-(4-methoxyphenyl)propan-2-amine
SMILESCCNC(C)(Cc1ccc(OC)cc1)c1nc(C)c(C)s1
InChIInChI=1S/C17H24N2OS/c1-6-18-17(4,16-19-12(2)13(3)21-16)11-14-7-9-15(20-5)10-8-14/h7-10,18H,6,11H2,1-5H3
InChIKeyMOEKXOROCVBRGZ-UHFFFAOYSA-N
XLogP3.84
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylbutan-2-amine
CID 61331926
2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propan-2-ylbutan-2-amine
CID 61334818
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 8797725
3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-2-methylpentan-3-amine
CID 61331008
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-N-methylpropan-2-amine
CID 114832552
1,2-bis(4-methoxyphenyl)propan-2-amine
CID 63273092
N-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543522
2-N',2-N'-diethyl-1-(4-methoxyphenyl)propane-2,2-diamine
CID 84752655
1-(5-ethyl-2-pyridinyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine
CID 79732624
1-(4-methoxyphenyl)-2-N',2-N'-dimethylpropane-2,2-diamine
CID 84748167
2-ethyl-2-[(4-methoxyphenyl)methyl]butanoic acid
CID 79015562
2-amino-3-(4-methoxyphenyl)-2-methylpropan-1-ol
CID 22961263

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-1-(4-methoxyphenyl)propan-2-amine?
The IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-1-(4-methoxyphenyl)propan-2-amine (CID 63271323) is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-1-(4-methoxyphenyl)propan-2-amine.
What is the SMILES notation for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-1-(4-methoxyphenyl)propan-2-amine?
The canonical SMILES for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-1-(4-methoxyphenyl)propan-2-amine is CCNC(C)(Cc1ccc(OC)cc1)c1nc(C)c(C)s1.
What is the InChIKey of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-1-(4-methoxyphenyl)propan-2-amine?
The InChIKey is MOEKXOROCVBRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-6-18-17(4,16-19-12(2)13(3)21-16)11-14-7-9-15(20-5)10-8-14/h7-10,18H,6,11H2,1-5H3.
What are the key properties of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-1-(4-methoxyphenyl)propan-2-amine?
2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-1-(4-methoxyphenyl)propan-2-amine has a molecular weight of 304.46 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-1-(4-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 63271323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).