5-methoxy-N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-amine

C17H24N2OS — CID 105164412

IUPAC5-methoxy-N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-amine
SMILESCNC(CCC(C)OC)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H24N2OS/c1-13(20-3)9-10-15(18-2)11-17-19-16(12-21-17)14-7-5-4-6-8-14/h4-8,12-13,15,18H,9-11H2,1-3H3
InChIKeyDJHULSRXNOQJFW-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.76
Rot. Bonds8

About 5-methoxy-N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-amine

5-methoxy-N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-amine (PubChem CID 105164412) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 5-methoxy-N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-amine.

Molecular Properties

Compound Name5-methoxy-N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-amine
PubChem CID105164412
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name5-methoxy-N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-amine
SMILESCNC(CCC(C)OC)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H24N2OS/c1-13(20-3)9-10-15(18-2)11-17-19-16(12-21-17)14-7-5-4-6-8-14/h4-8,12-13,15,18H,9-11H2,1-3H3
InChIKeyDJHULSRXNOQJFW-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine
CID 79820048
N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
CID 79819889
1-N,1-N,3-N-trimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butane-1,3-diamine
CID 115346382
1-N,1-N,2-N-trimethyl-3-(4-phenyl-1,3-thiazol-2-yl)propane-1,2-diamine
CID 79818156
N-methyl-1-[(2-methylpropan-2-yl)oxy]-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine
CID 105164397
N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)-3-thiophen-2-ylpropan-2-amine
CID 79825369
N,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 81012409
N,4-dimethyl-5-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
CID 79817421
4-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-one
CID 113391216
3-methyl-N-(2-methylpropyl)-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 81012215
4-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine
CID 79825345
1,1-difluoro-N-methyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine
CID 103516844

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-amine?
The IUPAC name of 5-methoxy-N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-amine (CID 105164412) is 5-methoxy-N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-amine.
What is the SMILES notation for 5-methoxy-N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-amine?
The canonical SMILES for 5-methoxy-N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-amine is CNC(CCC(C)OC)Cc1nc(-c2ccccc2)cs1.
What is the InChIKey of 5-methoxy-N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-amine?
The InChIKey is DJHULSRXNOQJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-13(20-3)9-10-15(18-2)11-17-19-16(12-21-17)14-7-5-4-6-8-14/h4-8,12-13,15,18H,9-11H2,1-3H3.
What are the key properties of 5-methoxy-N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-amine?
5-methoxy-N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-amine has a molecular weight of 304.46 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-amine is sourced from PubChem (CID 105164412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).