N-methyl-1-phenyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)butan-2-amine

C17H24N2S — CID 79008176

IUPACN-methyl-1-phenyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)butan-2-amine
SMILESCCC(Cc1ccccc1)(NC)c1nc(C(C)C)cs1
InChIInChI=1S/C17H24N2S/c1-5-17(18-4,11-14-9-7-6-8-10-14)16-19-15(12-20-16)13(2)3/h6-10,12-13,18H,5,11H2,1-4H3
InChIKeyIRJVRKREHXNTHV-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.33
Rot. Bonds6

About N-methyl-1-phenyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)butan-2-amine

N-methyl-1-phenyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)butan-2-amine (PubChem CID 79008176) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-methyl-1-phenyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)butan-2-amine.

Molecular Properties

Compound NameN-methyl-1-phenyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)butan-2-amine
PubChem CID79008176
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC NameN-methyl-1-phenyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)butan-2-amine
SMILESCCC(Cc1ccccc1)(NC)c1nc(C(C)C)cs1
InChIInChI=1S/C17H24N2S/c1-5-17(18-4,11-14-9-7-6-8-10-14)16-19-15(12-20-16)13(2)3/h6-10,12-13,18H,5,11H2,1-4H3
InChIKeyIRJVRKREHXNTHV-UHFFFAOYSA-N
XLogP4.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-propan-2-yl-1,3-thiazol-2-yl)pentan-3-yl]cyclopropanamine
CID 61335656
N,3-dimethyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)pentan-2-amine
CID 61331351
1-cyclopropyl-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine
CID 64918687
N-benzyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 21355599
N-methyl-2-phenyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)ethanamine
CID 61332526
2-(2-phenylethyl)-4-propan-2-yl-1,3-thiazole
CID 115618223
2-(2-ethoxypropan-2-yl)-4-propan-2-yl-1,3-thiazole
CID 116734587
N-(2-methoxyethyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)heptan-3-amine
CID 63953260
2-tert-butyl-4-propan-2-yl-1,3-thiazole
CID 22975254
1-methoxy-N-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-2-amine
CID 62536660
2-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylbutan-2-amine
CID 61335180
2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-2-amine
CID 61337262

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)butan-2-amine?
The IUPAC name of N-methyl-1-phenyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)butan-2-amine (CID 79008176) is N-methyl-1-phenyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)butan-2-amine.
What is the SMILES notation for N-methyl-1-phenyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)butan-2-amine?
The canonical SMILES for N-methyl-1-phenyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)butan-2-amine is CCC(Cc1ccccc1)(NC)c1nc(C(C)C)cs1.
What is the InChIKey of N-methyl-1-phenyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)butan-2-amine?
The InChIKey is IRJVRKREHXNTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-5-17(18-4,11-14-9-7-6-8-10-14)16-19-15(12-20-16)13(2)3/h6-10,12-13,18H,5,11H2,1-4H3.
What are the key properties of N-methyl-1-phenyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)butan-2-amine?
N-methyl-1-phenyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)butan-2-amine has a molecular weight of 288.46 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)butan-2-amine is sourced from PubChem (CID 79008176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).