2-(4-tert-butyl-1,3-thiazol-2-yl)-2-(5-methyl-1H-pyrazol-3-yl)ethanamine

C13H20N4S — CID 83987802

IUPAC2-(4-tert-butyl-1,3-thiazol-2-yl)-2-(5-methyl-1H-pyrazol-3-yl)ethanamine
SMILESCc1cc(C(CN)c2nc(C(C)(C)C)cs2)n[nH]1
InChIInChI=1S/C13H20N4S/c1-8-5-10(17-16-8)9(6-14)12-15-11(7-18-12)13(2,3)4/h5,7,9H,6,14H2,1-4H3,(H,16,17)
InChIKeyGERCNYAOCQXDFY-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.56
Rot. Bonds3

About 2-(4-tert-butyl-1,3-thiazol-2-yl)-2-(5-methyl-1H-pyrazol-3-yl)ethanamine

2-(4-tert-butyl-1,3-thiazol-2-yl)-2-(5-methyl-1H-pyrazol-3-yl)ethanamine (PubChem CID 83987802) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is 2-(4-tert-butyl-1,3-thiazol-2-yl)-2-(5-methyl-1H-pyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4-tert-butyl-1,3-thiazol-2-yl)-2-(5-methyl-1H-pyrazol-3-yl)ethanamine
PubChem CID83987802
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC Name2-(4-tert-butyl-1,3-thiazol-2-yl)-2-(5-methyl-1H-pyrazol-3-yl)ethanamine
SMILESCc1cc(C(CN)c2nc(C(C)(C)C)cs2)n[nH]1
InChIInChI=1S/C13H20N4S/c1-8-5-10(17-16-8)9(6-14)12-15-11(7-18-12)13(2,3)4/h5,7,9H,6,14H2,1-4H3,(H,16,17)
InChIKeyGERCNYAOCQXDFY-UHFFFAOYSA-N
XLogP2.56
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-tert-butyl-1,3-thiazol-2-yl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine
CID 83987811
2-(4-tert-butyl-1,3-thiazol-2-yl)-3-(3-methylphenyl)propan-1-amine
CID 83977458
1-(4-tert-butyl-1,3-thiazol-2-yl)-3,3-dimethylbutan-1-amine
CID 62952140
3-amino-1-(5-methyl-1H-pyrazol-3-yl)propan-1-ol
CID 82416342
2-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-methylphenyl)propan-1-amine
CID 83977459
2-(4-tert-butyl-1,3-thiazol-2-yl)-3-pyridin-4-ylpropan-1-amine
CID 83977452
2-(5-methyl-1H-pyrazol-3-yl)propan-2-amine
CID 82418317
2-(3-chloro-4-ethoxyphenyl)-2-(5-methyl-1H-pyrazol-3-yl)ethanamine
CID 83986652
2-(5-methyl-1H-pyrazol-3-yl)propan-2-amine;hydrochloride
CID 141469319
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethylbutan-1-amine
CID 61331826
2-amino-2-(5-methyl-1H-pyrazol-3-yl)ethanol
CID 82594248
2-amino-1-(3-tert-butyl-1H-pyrazol-5-yl)ethanol
CID 83828671

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-2-(5-methyl-1H-pyrazol-3-yl)ethanamine?
The IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-2-(5-methyl-1H-pyrazol-3-yl)ethanamine (CID 83987802) is 2-(4-tert-butyl-1,3-thiazol-2-yl)-2-(5-methyl-1H-pyrazol-3-yl)ethanamine.
What is the SMILES notation for 2-(4-tert-butyl-1,3-thiazol-2-yl)-2-(5-methyl-1H-pyrazol-3-yl)ethanamine?
The canonical SMILES for 2-(4-tert-butyl-1,3-thiazol-2-yl)-2-(5-methyl-1H-pyrazol-3-yl)ethanamine is Cc1cc(C(CN)c2nc(C(C)(C)C)cs2)n[nH]1.
What is the InChIKey of 2-(4-tert-butyl-1,3-thiazol-2-yl)-2-(5-methyl-1H-pyrazol-3-yl)ethanamine?
The InChIKey is GERCNYAOCQXDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-8-5-10(17-16-8)9(6-14)12-15-11(7-18-12)13(2,3)4/h5,7,9H,6,14H2,1-4H3,(H,16,17).
What are the key properties of 2-(4-tert-butyl-1,3-thiazol-2-yl)-2-(5-methyl-1H-pyrazol-3-yl)ethanamine?
2-(4-tert-butyl-1,3-thiazol-2-yl)-2-(5-methyl-1H-pyrazol-3-yl)ethanamine has a molecular weight of 264.40 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 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)-2-(5-methyl-1H-pyrazol-3-yl)ethanamine is sourced from PubChem (CID 83987802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).