(1S)-1-(5-ethyl-1,3-thiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine

C11H16N4S — CID 96529352

IUPAC(1S)-1-(5-ethyl-1,3-thiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
SMILESCCc1cnc([C@H](C)NCc2ccn[nH]2)s1
InChIInChI=1S/C11H16N4S/c1-3-10-7-13-11(16-10)8(2)12-6-9-4-5-14-15-9/h4-5,7-8,12H,3,6H2,1-2H3,(H,14,15)/t8-/m0/s1
InChIKeyMXEWGUAYJZFMPF-QMMMGPOBSA-N
MW236.34 g/mol
LogP2.28
Rot. Bonds5

About (1S)-1-(5-ethyl-1,3-thiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine

(1S)-1-(5-ethyl-1,3-thiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine (PubChem CID 96529352) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is (1S)-1-(5-ethyl-1,3-thiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(5-ethyl-1,3-thiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
PubChem CID96529352
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name(1S)-1-(5-ethyl-1,3-thiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
SMILESCCc1cnc([C@H](C)NCc2ccn[nH]2)s1
InChIInChI=1S/C11H16N4S/c1-3-10-7-13-11(16-10)8(2)12-6-9-4-5-14-15-9/h4-5,7-8,12H,3,6H2,1-2H3,(H,14,15)/t8-/m0/s1
InChIKeyMXEWGUAYJZFMPF-QMMMGPOBSA-N
XLogP2.28
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-ethyl-1,3-thiazol-2-yl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
CID 112696852
1-(5-ethyl-1,3-thiazol-2-yl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103438032
N-[(3,5-dimethylphenyl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine
CID 112696879
3-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]benzene-1,2-diol
CID 112640133
N-[(2,5-dimethylthiophen-3-yl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine
CID 115697598
1-(5-ethyl-1,3-thiazol-2-yl)-N-(naphthalen-2-ylmethyl)ethanamine
CID 115679712
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylpentan-1-amine
CID 115904938
1-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-methylpropan-2-ol
CID 115679819
1-(5-ethyl-1,3-thiazol-2-yl)-N-[(5-fluoro-3-pyridinyl)methyl]ethanamine
CID 104953801
4-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]-2,6-difluorophenol
CID 115680101
1-(5-ethyl-1,3-thiazol-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 113387207
1-(5-ethyl-1,3-thiazol-2-yl)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 115679748

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-ethyl-1,3-thiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine?
The IUPAC name of (1S)-1-(5-ethyl-1,3-thiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine (CID 96529352) is (1S)-1-(5-ethyl-1,3-thiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine.
What is the SMILES notation for (1S)-1-(5-ethyl-1,3-thiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine?
The canonical SMILES for (1S)-1-(5-ethyl-1,3-thiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine is CCc1cnc([C@H](C)NCc2ccn[nH]2)s1.
What is the InChIKey of (1S)-1-(5-ethyl-1,3-thiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine?
The InChIKey is MXEWGUAYJZFMPF-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16N4S/c1-3-10-7-13-11(16-10)8(2)12-6-9-4-5-14-15-9/h4-5,7-8,12H,3,6H2,1-2H3,(H,14,15)/t8-/m0/s1.
What are the key properties of (1S)-1-(5-ethyl-1,3-thiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine?
(1S)-1-(5-ethyl-1,3-thiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine has a molecular weight of 236.34 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-ethyl-1,3-thiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine is sourced from PubChem (CID 96529352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).