2-(4-tert-butyl-1,3-thiazol-2-yl)-3-pyridin-4-ylpropan-1-amine

C15H21N3S — CID 83977452

IUPAC2-(4-tert-butyl-1,3-thiazol-2-yl)-3-pyridin-4-ylpropan-1-amine
SMILESCC(C)(C)c1csc(C(CN)Cc2ccncc2)n1
InChIInChI=1S/C15H21N3S/c1-15(2,3)13-10-19-14(18-13)12(9-16)8-11-4-6-17-7-5-11/h4-7,10,12H,8-9,16H2,1-3H3
InChIKeyAOUMZAYVDUGHLJ-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.12
Rot. Bonds4

About 2-(4-tert-butyl-1,3-thiazol-2-yl)-3-pyridin-4-ylpropan-1-amine

2-(4-tert-butyl-1,3-thiazol-2-yl)-3-pyridin-4-ylpropan-1-amine (PubChem CID 83977452) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-(4-tert-butyl-1,3-thiazol-2-yl)-3-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound Name2-(4-tert-butyl-1,3-thiazol-2-yl)-3-pyridin-4-ylpropan-1-amine
PubChem CID83977452
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name2-(4-tert-butyl-1,3-thiazol-2-yl)-3-pyridin-4-ylpropan-1-amine
SMILESCC(C)(C)c1csc(C(CN)Cc2ccncc2)n1
InChIInChI=1S/C15H21N3S/c1-15(2,3)13-10-19-14(18-13)12(9-16)8-11-4-6-17-7-5-11/h4-7,10,12H,8-9,16H2,1-3H3
InChIKeyAOUMZAYVDUGHLJ-UHFFFAOYSA-N
XLogP3.12
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-tert-butyl-1,3-thiazol-2-yl)-3-(3-methylphenyl)propan-1-amine
CID 83977458
2-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-methylphenyl)propan-1-amine
CID 83977459
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 78943710
2-(5-tert-butyl-2-ethoxyphenyl)-3-pyridin-4-ylpropan-1-amine
CID 83974992
1-(4-tert-butyl-1,3-thiazol-2-yl)-3,3-dimethylbutan-1-amine
CID 62952140
(2S)-2-methyl-3-pyridin-4-ylpropan-1-amine
CID 42079600
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-methylphenyl)propan-2-ol
CID 79819728
3-(3-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 83977396
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)propan-2-amine
CID 79820432
3-(4-ethylphenyl)-2-(1,3-thiazol-2-yl)propan-1-amine
CID 83977512
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chloro-4-pyridinyl)ethanamine
CID 105169573
2-(4-tert-butyl-1,3-thiazol-2-yl)-2-(5-methyl-1H-pyrazol-3-yl)ethanamine
CID 83987802

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-3-pyridin-4-ylpropan-1-amine?
The IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-3-pyridin-4-ylpropan-1-amine (CID 83977452) is 2-(4-tert-butyl-1,3-thiazol-2-yl)-3-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for 2-(4-tert-butyl-1,3-thiazol-2-yl)-3-pyridin-4-ylpropan-1-amine?
The canonical SMILES for 2-(4-tert-butyl-1,3-thiazol-2-yl)-3-pyridin-4-ylpropan-1-amine is CC(C)(C)c1csc(C(CN)Cc2ccncc2)n1.
What is the InChIKey of 2-(4-tert-butyl-1,3-thiazol-2-yl)-3-pyridin-4-ylpropan-1-amine?
The InChIKey is AOUMZAYVDUGHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-15(2,3)13-10-19-14(18-13)12(9-16)8-11-4-6-17-7-5-11/h4-7,10,12H,8-9,16H2,1-3H3.
What are the key properties of 2-(4-tert-butyl-1,3-thiazol-2-yl)-3-pyridin-4-ylpropan-1-amine?
2-(4-tert-butyl-1,3-thiazol-2-yl)-3-pyridin-4-ylpropan-1-amine has a molecular weight of 275.42 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-1,3-thiazol-2-yl)-3-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 83977452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).