1-(3-ethyl-1-methylpyrazol-5-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine

C12H18N4S — CID 105171468

IUPAC1-(3-ethyl-1-methylpyrazol-5-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCCc1cc(C(N)Cc2nc(C)cs2)n(C)n1
InChIInChI=1S/C12H18N4S/c1-4-9-5-11(16(3)15-9)10(13)6-12-14-8(2)7-17-12/h5,7,10H,4,6,13H2,1-3H3
InChIKeyTUBPPUFNPHITDW-UHFFFAOYSA-N
MW250.37 g/mol
LogP1.99
Rot. Bonds4

About 1-(3-ethyl-1-methylpyrazol-5-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine

1-(3-ethyl-1-methylpyrazol-5-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 105171468) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-5-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-5-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID105171468
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name1-(3-ethyl-1-methylpyrazol-5-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCCc1cc(C(N)Cc2nc(C)cs2)n(C)n1
InChIInChI=1S/C12H18N4S/c1-4-9-5-11(16(3)15-9)10(13)6-12-14-8(2)7-17-12/h5,7,10H,4,6,13H2,1-3H3
InChIKeyTUBPPUFNPHITDW-UHFFFAOYSA-N
XLogP1.99
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-1-amine
CID 105083062
(3-ethyl-1-methylpyrazol-5-yl)-(3-methylthiophen-2-yl)methanamine
CID 105166440
1-(2,5-dimethylpyrazol-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 105164424
1-(3-ethyl-1-methylpyrazol-5-yl)-5-methylhexan-1-amine
CID 105177018
1-(3-ethyl-1-methylpyrazol-5-yl)undecan-1-amine
CID 105138150
[1-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105316100
1-(4-ethylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 62796349
2-(4-methyl-1,3-thiazol-2-yl)-1-(2,4,5-trimethylphenyl)ethanamine
CID 64989653
2-(3-bromo-5-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 105169370
1-(5-ethylfuran-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105019259
1-(3-ethyl-1-methylpyrazol-5-yl)hex-5-en-1-amine
CID 105153055
1-(2,6-dimethyl-4-pyridinyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 107503326

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (CID 105171468) is 1-(3-ethyl-1-methylpyrazol-5-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-5-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-5-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is CCc1cc(C(N)Cc2nc(C)cs2)n(C)n1.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-5-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is TUBPPUFNPHITDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-4-9-5-11(16(3)15-9)10(13)6-12-14-8(2)7-17-12/h5,7,10H,4,6,13H2,1-3H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-5-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
1-(3-ethyl-1-methylpyrazol-5-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 250.37 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-5-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 105171468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).