2-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-1-(2-methylpyrazol-3-yl)ethanamine

C15H24N4S — CID 105169530

IUPAC2-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-1-(2-methylpyrazol-3-yl)ethanamine
SMILESCCNC(Cc1nc(C(C)(C)C)cs1)c1ccnn1C
InChIInChI=1S/C15H24N4S/c1-6-16-11(12-7-8-17-19(12)5)9-14-18-13(10-20-14)15(2,3)4/h7-8,10-11,16H,6,9H2,1-5H3
InChIKeyYWMSRTWVDIBHKA-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.07
Rot. Bonds5

About 2-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-1-(2-methylpyrazol-3-yl)ethanamine

2-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-1-(2-methylpyrazol-3-yl)ethanamine (PubChem CID 105169530) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is 2-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-1-(2-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-1-(2-methylpyrazol-3-yl)ethanamine
PubChem CID105169530
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC Name2-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-1-(2-methylpyrazol-3-yl)ethanamine
SMILESCCNC(Cc1nc(C(C)(C)C)cs1)c1ccnn1C
InChIInChI=1S/C15H24N4S/c1-6-16-11(12-7-8-17-19(12)5)9-14-18-13(10-20-14)15(2,3)4/h7-8,10-11,16H,6,9H2,1-5H3
InChIKeyYWMSRTWVDIBHKA-UHFFFAOYSA-N
XLogP3.07
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-5,5,5-trifluoropentan-2-amine
CID 79954263
N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 79825756
N,3-diethyl-1-(2-methylpyrazol-3-yl)pentan-1-amine
CID 105176670
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methyl-3-methylsulfonylbutan-2-amine
CID 105015897
2-(3,4-dimethylphenyl)-N-ethyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 63963537
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-ethylfuran-2-yl)-N-methylethanamine
CID 105016055
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclohexyl-N-ethylpropan-2-amine
CID 105015912
N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-chlorofuran-2-yl)ethyl]propan-1-amine
CID 106692687
N-ethyl-2-methyl-1-(2-methylpyrazol-3-yl)propan-1-amine
CID 63962680
4-tert-butyl-2-[(2-methylpyrazol-3-yl)methylsulfonylmethyl]-1,3-thiazole
CID 99841386
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxy-4-methylpentan-2-amine
CID 116720237
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethylbutan-1-amine
CID 61331826

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-1-(2-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-1-(2-methylpyrazol-3-yl)ethanamine (CID 105169530) is 2-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-1-(2-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 2-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-1-(2-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 2-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-1-(2-methylpyrazol-3-yl)ethanamine is CCNC(Cc1nc(C(C)(C)C)cs1)c1ccnn1C.
What is the InChIKey of 2-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-1-(2-methylpyrazol-3-yl)ethanamine?
The InChIKey is YWMSRTWVDIBHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c1-6-16-11(12-7-8-17-19(12)5)9-14-18-13(10-20-14)15(2,3)4/h7-8,10-11,16H,6,9H2,1-5H3.
What are the key properties of 2-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-1-(2-methylpyrazol-3-yl)ethanamine?
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-1-(2-methylpyrazol-3-yl)ethanamine has a molecular weight of 292.45 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-1-(2-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 105169530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).