2-[2-(1-methoxybutyl)-1,3-thiazol-4-yl]-N-methyl-1-phenylethanamine

C17H24N2OS — CID 116727740

IUPAC2-[2-(1-methoxybutyl)-1,3-thiazol-4-yl]-N-methyl-1-phenylethanamine
SMILESCCCC(OC)c1nc(CC(NC)c2ccccc2)cs1
InChIInChI=1S/C17H24N2OS/c1-4-8-16(20-3)17-19-14(12-21-17)11-15(18-2)13-9-6-5-7-10-13/h5-7,9-10,12,15-16,18H,4,8,11H2,1-3H3
InChIKeyWVAPHDXYJCMZEO-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.13
Rot. Bonds8

About 2-[2-(1-methoxybutyl)-1,3-thiazol-4-yl]-N-methyl-1-phenylethanamine

2-[2-(1-methoxybutyl)-1,3-thiazol-4-yl]-N-methyl-1-phenylethanamine (PubChem CID 116727740) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-[2-(1-methoxybutyl)-1,3-thiazol-4-yl]-N-methyl-1-phenylethanamine.

Molecular Properties

Compound Name2-[2-(1-methoxybutyl)-1,3-thiazol-4-yl]-N-methyl-1-phenylethanamine
PubChem CID116727740
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name2-[2-(1-methoxybutyl)-1,3-thiazol-4-yl]-N-methyl-1-phenylethanamine
SMILESCCCC(OC)c1nc(CC(NC)c2ccccc2)cs1
InChIInChI=1S/C17H24N2OS/c1-4-8-16(20-3)17-19-14(12-21-17)11-15(18-2)13-9-6-5-7-10-13/h5-7,9-10,12,15-16,18H,4,8,11H2,1-3H3
InChIKeyWVAPHDXYJCMZEO-UHFFFAOYSA-N
XLogP4.13
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methoxybutyl)-4-propyl-1,3-thiazole
CID 116734629
2-[2-(1-methoxybutyl)-1,3-thiazol-4-yl]-1-phenylethanone
CID 116727506
N-methyl-2-[2-(3-methylcyclopentyl)-1,3-thiazol-4-yl]-1-phenylethanamine
CID 65414615
2-[2-(4-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-methyl-1-phenylethanamine
CID 79422016
2-[2-(3-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-methyl-1-phenylethanamine
CID 115381091
2-(6-methoxy-2-pyridinyl)-N-methyl-1-phenylethanamine
CID 63586131
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-ethyl-1-phenylethanamine
CID 62366190
4-[2-(methylamino)-2-phenylethyl]-3H-1,3-thiazol-2-one
CID 81462911
2-(1-ethoxybutyl)-4-(methoxymethyl)-1,3-thiazole
CID 107512034
N-methyl-2-[2-(1,4-oxathian-2-yl)-1,3-thiazol-4-yl]-1-phenylethanamine
CID 79959332
4-[2-(1-methoxybutyl)-1,3-thiazol-4-yl]benzoic acid
CID 116732286
N-[[2-[methoxy(phenyl)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 116774770

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methoxybutyl)-1,3-thiazol-4-yl]-N-methyl-1-phenylethanamine?
The IUPAC name of 2-[2-(1-methoxybutyl)-1,3-thiazol-4-yl]-N-methyl-1-phenylethanamine (CID 116727740) is 2-[2-(1-methoxybutyl)-1,3-thiazol-4-yl]-N-methyl-1-phenylethanamine.
What is the SMILES notation for 2-[2-(1-methoxybutyl)-1,3-thiazol-4-yl]-N-methyl-1-phenylethanamine?
The canonical SMILES for 2-[2-(1-methoxybutyl)-1,3-thiazol-4-yl]-N-methyl-1-phenylethanamine is CCCC(OC)c1nc(CC(NC)c2ccccc2)cs1.
What is the InChIKey of 2-[2-(1-methoxybutyl)-1,3-thiazol-4-yl]-N-methyl-1-phenylethanamine?
The InChIKey is WVAPHDXYJCMZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-4-8-16(20-3)17-19-14(12-21-17)11-15(18-2)13-9-6-5-7-10-13/h5-7,9-10,12,15-16,18H,4,8,11H2,1-3H3.
What are the key properties of 2-[2-(1-methoxybutyl)-1,3-thiazol-4-yl]-N-methyl-1-phenylethanamine?
2-[2-(1-methoxybutyl)-1,3-thiazol-4-yl]-N-methyl-1-phenylethanamine has a molecular weight of 304.46 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methoxybutyl)-1,3-thiazol-4-yl]-N-methyl-1-phenylethanamine is sourced from PubChem (CID 116727740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).