1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-3-phenoxypropan-2-amine

C17H24N2OS — CID 79825542

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-3-phenoxypropan-2-amine
SMILESCNC(COc1ccccc1)Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C17H24N2OS/c1-17(2,3)15-12-21-16(19-15)10-13(18-4)11-20-14-8-6-5-7-9-14/h5-9,12-13,18H,10-11H2,1-4H3
InChIKeyCECCPCKMJFERKX-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.65
Rot. Bonds6

About 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-3-phenoxypropan-2-amine

1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-3-phenoxypropan-2-amine (PubChem CID 79825542) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-3-phenoxypropan-2-amine.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-3-phenoxypropan-2-amine
PubChem CID79825542
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-3-phenoxypropan-2-amine
SMILESCNC(COc1ccccc1)Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C17H24N2OS/c1-17(2,3)15-12-21-16(19-15)10-13(18-4)11-20-14-8-6-5-7-9-14/h5-9,12-13,18H,10-11H2,1-4H3
InChIKeyCECCPCKMJFERKX-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenoxypropan-2-amine
CID 79819973
[1-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylpropan-2-yl]hydrazine
CID 105195130
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 79828211
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2-iodophenyl)-N-methylethanamine
CID 105015883
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenoxy)propan-2-amine
CID 105169535
N-methyl-1-[(2-methylpropan-2-yl)oxy]-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine
CID 105164397
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-1-(2-methylphenyl)ethanamine
CID 79820357
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cycloheptyl-N-methylpropan-2-amine
CID 105015894
4-tert-butyl-2-(3-chloro-2-methyl-3-phenylpropyl)-1,3-thiazole
CID 104846384
[1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]hydrazine
CID 105214128
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxypropan-2-amine
CID 79820516
[1-(4-tert-butyl-1,3-thiazol-2-yl)-4-pyridin-3-ylbutan-2-yl]hydrazine
CID 105324991

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-3-phenoxypropan-2-amine?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-3-phenoxypropan-2-amine (CID 79825542) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-3-phenoxypropan-2-amine.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-3-phenoxypropan-2-amine?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-3-phenoxypropan-2-amine is CNC(COc1ccccc1)Cc1nc(C(C)(C)C)cs1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-3-phenoxypropan-2-amine?
The InChIKey is CECCPCKMJFERKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-17(2,3)15-12-21-16(19-15)10-13(18-4)11-20-14-8-6-5-7-9-14/h5-9,12-13,18H,10-11H2,1-4H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-3-phenoxypropan-2-amine?
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-3-phenoxypropan-2-amine has a molecular weight of 304.46 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-3-phenoxypropan-2-amine is sourced from PubChem (CID 79825542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).