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

C18H22N4S — CID 83987811

IUPAC2-(4-tert-butyl-1,3-thiazol-2-yl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine
SMILESCC(C)(C)c1csc(C(CN)c2cc(-c3ccccc3)n[nH]2)n1
InChIInChI=1S/C18H22N4S/c1-18(2,3)16-11-23-17(20-16)13(10-19)15-9-14(21-22-15)12-7-5-4-6-8-12/h4-9,11,13H,10,19H2,1-3H3,(H,21,22)
InChIKeyNBZXECQDZDETAI-UHFFFAOYSA-N
MW326.47 g/mol
LogP3.92
Rot. Bonds4

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

2-(4-tert-butyl-1,3-thiazol-2-yl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine (PubChem CID 83987811) has the molecular formula C18H22N4S and a molecular weight of 326.47 g/mol. Its IUPAC name is 2-(4-tert-butyl-1,3-thiazol-2-yl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4-tert-butyl-1,3-thiazol-2-yl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine
PubChem CID83987811
Molecular FormulaC18H22N4S
Molecular Weight326.47 g/mol
Exact Mass326.16
IUPAC Name2-(4-tert-butyl-1,3-thiazol-2-yl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine
SMILESCC(C)(C)c1csc(C(CN)c2cc(-c3ccccc3)n[nH]2)n1
InChIInChI=1S/C18H22N4S/c1-18(2,3)16-11-23-17(20-16)13(10-19)15-9-14(21-22-15)12-7-5-4-6-8-12/h4-9,11,13H,10,19H2,1-3H3,(H,21,22)
InChIKeyNBZXECQDZDETAI-UHFFFAOYSA-N
XLogP3.92
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-tert-butyl-1,3-thiazol-2-yl)-2-(5-methyl-1H-pyrazol-3-yl)ethanamine
CID 83987802
2-(4-chlorophenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine
CID 83986388
2-(3-tert-butyl-1H-pyrazol-5-yl)-2-(2-fluorophenyl)ethanamine
CID 83987278
2-(2,5-difluorophenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine
CID 83987309
2-(1-methylindol-3-yl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine
CID 83987634
2-(2-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine
CID 83986936
2-(4-methoxy-3-methylphenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine
CID 83986834
4-tert-butyl-2-phenyl-1,3-thiazole
CID 608825
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-(3-methylphenyl)propan-1-amine
CID 83977458
2-amino-1-(3-tert-butyl-1H-pyrazol-5-yl)ethanol
CID 83828671
(4-tert-butyl-1,3-thiazol-2-yl)-(2-ethoxyphenyl)methanamine
CID 61332859

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine?
The IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine (CID 83987811) is 2-(4-tert-butyl-1,3-thiazol-2-yl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine.
What is the SMILES notation for 2-(4-tert-butyl-1,3-thiazol-2-yl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine?
The canonical SMILES for 2-(4-tert-butyl-1,3-thiazol-2-yl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine is CC(C)(C)c1csc(C(CN)c2cc(-c3ccccc3)n[nH]2)n1.
What is the InChIKey of 2-(4-tert-butyl-1,3-thiazol-2-yl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine?
The InChIKey is NBZXECQDZDETAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4S/c1-18(2,3)16-11-23-17(20-16)13(10-19)15-9-14(21-22-15)12-7-5-4-6-8-12/h4-9,11,13H,10,19H2,1-3H3,(H,21,22).
What are the key properties of 2-(4-tert-butyl-1,3-thiazol-2-yl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine?
2-(4-tert-butyl-1,3-thiazol-2-yl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine has a molecular weight of 326.47 g/mol, XLogP of 3.92, 4 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-(3-phenyl-1H-pyrazol-5-yl)ethanamine is sourced from PubChem (CID 83987811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).