N-methyl-1-[(2-methylpropan-2-yl)oxy]-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine

C17H24N2OS — CID 105164397

IUPACN-methyl-1-[(2-methylpropan-2-yl)oxy]-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine
SMILESCNC(COC(C)(C)C)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H24N2OS/c1-17(2,3)20-11-14(18-4)10-16-19-15(12-21-16)13-8-6-5-7-9-13/h5-9,12,14,18H,10-11H2,1-4H3
InChIKeyPTUUCRGXLLQCMS-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.76
Rot. Bonds6

About N-methyl-1-[(2-methylpropan-2-yl)oxy]-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine

N-methyl-1-[(2-methylpropan-2-yl)oxy]-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine (PubChem CID 105164397) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is N-methyl-1-[(2-methylpropan-2-yl)oxy]-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[(2-methylpropan-2-yl)oxy]-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine
PubChem CID105164397
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN-methyl-1-[(2-methylpropan-2-yl)oxy]-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine
SMILESCNC(COC(C)(C)C)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H24N2OS/c1-17(2,3)20-11-14(18-4)10-16-19-15(12-21-16)13-8-6-5-7-9-13/h5-9,12,14,18H,10-11H2,1-4H3
InChIKeyPTUUCRGXLLQCMS-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
CID 79819889
4-methoxy-N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine
CID 79820048
1-N,1-N,2-N-trimethyl-3-(4-phenyl-1,3-thiazol-2-yl)propane-1,2-diamine
CID 79818156
5-methoxy-N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-amine
CID 105164412
N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)-3-thiophen-2-ylpropan-2-amine
CID 79825369
1-N,1-N,3-N-trimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butane-1,3-diamine
CID 115346382
1,1-difluoro-N-methyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine
CID 103516844
N-methyl-1-[(2-methylpropan-2-yl)oxy]-3-phenylpropan-2-amine
CID 105084518
N,4-dimethyl-5-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
CID 79817421
3-methoxy-3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-ol
CID 79820192
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-3-phenoxypropan-2-amine
CID 79825542
4-methoxy-4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-ol
CID 103027611

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(2-methylpropan-2-yl)oxy]-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine?
The IUPAC name of N-methyl-1-[(2-methylpropan-2-yl)oxy]-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine (CID 105164397) is N-methyl-1-[(2-methylpropan-2-yl)oxy]-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine.
What is the SMILES notation for N-methyl-1-[(2-methylpropan-2-yl)oxy]-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine?
The canonical SMILES for N-methyl-1-[(2-methylpropan-2-yl)oxy]-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine is CNC(COC(C)(C)C)Cc1nc(-c2ccccc2)cs1.
What is the InChIKey of N-methyl-1-[(2-methylpropan-2-yl)oxy]-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine?
The InChIKey is PTUUCRGXLLQCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-17(2,3)20-11-14(18-4)10-16-19-15(12-21-16)13-8-6-5-7-9-13/h5-9,12,14,18H,10-11H2,1-4H3.
What are the key properties of N-methyl-1-[(2-methylpropan-2-yl)oxy]-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine?
N-methyl-1-[(2-methylpropan-2-yl)oxy]-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine has a molecular weight of 304.46 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(2-methylpropan-2-yl)oxy]-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine is sourced from PubChem (CID 105164397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).