3-methoxy-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]propan-1-amine

C16H22N2OS — CID 82102677

IUPAC3-methoxy-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
SMILESCOCCCNCCc1nc(-c2ccccc2)c(C)s1
InChIInChI=1S/C16H22N2OS/c1-13-16(14-7-4-3-5-8-14)18-15(20-13)9-11-17-10-6-12-19-2/h3-5,7-8,17H,6,9-12H2,1-2H3
InChIKeyVRYCMWBUQMMOGJ-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.29
Rot. Bonds8

About 3-methoxy-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]propan-1-amine

3-methoxy-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]propan-1-amine (PubChem CID 82102677) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 3-methoxy-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
PubChem CID82102677
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name3-methoxy-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
SMILESCOCCCNCCc1nc(-c2ccccc2)c(C)s1
InChIInChI=1S/C16H22N2OS/c1-13-16(14-7-4-3-5-8-14)18-15(20-13)9-11-17-10-6-12-19-2/h3-5,7-8,17H,6,9-12H2,1-2H3
InChIKeyVRYCMWBUQMMOGJ-UHFFFAOYSA-N
XLogP3.29
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methyl-2-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]-4-phenyl-1,3-thiazole
CID 2129747
N-(2-methoxyethyl)-2-(4-phenyl-2-propyl-1,3-thiazol-5-yl)ethanamine
CID 79782932
N-(furan-2-ylmethyl)-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 82102767
4-(4-tert-butylphenyl)-2-(3-methoxypropyl)-5-methyl-1,3-thiazole
CID 60587964
N-(2-methoxyethyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 2462730
N-[2-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]propan-1-amine
CID 82102720
2-methoxy-N-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543228
2-methyl-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine
CID 133490478
5-methyl-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]pyrazine-2-carboxamide
CID 44774897
2-methyl-3-(methylamino)-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119893382
N-[[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine
CID 62544682
N-(3-methoxypropyl)-3-phenylpropan-1-amine
CID 28674385

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of 3-methoxy-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]propan-1-amine (CID 82102677) is 3-methoxy-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3-methoxy-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for 3-methoxy-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]propan-1-amine is COCCCNCCc1nc(-c2ccccc2)c(C)s1.
What is the InChIKey of 3-methoxy-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]propan-1-amine?
The InChIKey is VRYCMWBUQMMOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-13-16(14-7-4-3-5-8-14)18-15(20-13)9-11-17-10-6-12-19-2/h3-5,7-8,17H,6,9-12H2,1-2H3.
What are the key properties of 3-methoxy-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]propan-1-amine?
3-methoxy-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]propan-1-amine has a molecular weight of 290.43 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 82102677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).