N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(1-methylpyrazol-4-yl)ethanamine

C13H20N4S — CID 112700496

IUPACN-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(1-methylpyrazol-4-yl)ethanamine
SMILESCCc1cnc(C(C)NC(C)c2cnn(C)c2)s1
InChIInChI=1S/C13H20N4S/c1-5-12-7-14-13(18-12)10(3)16-9(2)11-6-15-17(4)8-11/h6-10,16H,5H2,1-4H3
InChIKeyNUWOQZQMQFJAGU-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.85
Rot. Bonds5

About N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(1-methylpyrazol-4-yl)ethanamine

N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(1-methylpyrazol-4-yl)ethanamine (PubChem CID 112700496) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(1-methylpyrazol-4-yl)ethanamine
PubChem CID112700496
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC NameN-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(1-methylpyrazol-4-yl)ethanamine
SMILESCCc1cnc(C(C)NC(C)c2cnn(C)c2)s1
InChIInChI=1S/C13H20N4S/c1-5-12-7-14-13(18-12)10(3)16-9(2)11-6-15-17(4)8-11/h6-10,16H,5H2,1-4H3
InChIKeyNUWOQZQMQFJAGU-UHFFFAOYSA-N
XLogP2.85
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]ethyl]benzene-1,3-diol
CID 107707104
(1S)-N-[(1R)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-thiophen-3-ylethanamine
CID 99637053
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(1-methylimidazol-2-yl)ethanamine
CID 112551903
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylpentan-3-amine
CID 115726821
4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pentan-1-ol
CID 115972512
1-(5-bromothiophen-2-yl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 112700486
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 112700001
1-(4-ethylphenyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 115726807
N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 43492401
1-cyclobutyl-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 115726794
1-(1-benzothiophen-2-yl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 114910046
1-(2,4-difluorophenyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 115679837

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(1-methylpyrazol-4-yl)ethanamine (CID 112700496) is N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(1-methylpyrazol-4-yl)ethanamine is CCc1cnc(C(C)NC(C)c2cnn(C)c2)s1.
What is the InChIKey of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(1-methylpyrazol-4-yl)ethanamine?
The InChIKey is NUWOQZQMQFJAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-5-12-7-14-13(18-12)10(3)16-9(2)11-6-15-17(4)8-11/h6-10,16H,5H2,1-4H3.
What are the key properties of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(1-methylpyrazol-4-yl)ethanamine?
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(1-methylpyrazol-4-yl)ethanamine has a molecular weight of 264.40 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 112700496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).