1-(2-methyl-1,3-thiazol-4-yl)-N-(2-pyridin-4-ylethyl)ethanamine

C13H17N3S — CID 54944257

IUPAC1-(2-methyl-1,3-thiazol-4-yl)-N-(2-pyridin-4-ylethyl)ethanamine
SMILESCc1nc(C(C)NCCc2ccncc2)cs1
InChIInChI=1S/C13H17N3S/c1-10(13-9-17-11(2)16-13)15-8-5-12-3-6-14-7-4-12/h3-4,6-7,9-10,15H,5,8H2,1-2H3
InChIKeyMEXRXHONYWNFJC-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.74
Rot. Bonds5

About 1-(2-methyl-1,3-thiazol-4-yl)-N-(2-pyridin-4-ylethyl)ethanamine

1-(2-methyl-1,3-thiazol-4-yl)-N-(2-pyridin-4-ylethyl)ethanamine (PubChem CID 54944257) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 1-(2-methyl-1,3-thiazol-4-yl)-N-(2-pyridin-4-ylethyl)ethanamine.

Molecular Properties

Compound Name1-(2-methyl-1,3-thiazol-4-yl)-N-(2-pyridin-4-ylethyl)ethanamine
PubChem CID54944257
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name1-(2-methyl-1,3-thiazol-4-yl)-N-(2-pyridin-4-ylethyl)ethanamine
SMILESCc1nc(C(C)NCCc2ccncc2)cs1
InChIInChI=1S/C13H17N3S/c1-10(13-9-17-11(2)16-13)15-8-5-12-3-6-14-7-4-12/h3-4,6-7,9-10,15H,5,8H2,1-2H3
InChIKeyMEXRXHONYWNFJC-UHFFFAOYSA-N
XLogP2.74
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]butan-1-amine
CID 43670043
(1S)-1-pyridin-2-yl-N-(2-pyridin-4-ylethyl)ethanamine
CID 81402151
N-[(4-fluorophenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 43670104
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-propylaniline
CID 43670202
[4-[[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]phenyl]methanol
CID 104579447
N-(2-pyridin-4-ylethyl)propan-2-amine;dihydrochloride
CID 91928341
2,2-difluoro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 115405653
N-(2-pyridin-4-ylethyl)-1-thiophen-3-ylethanamine
CID 62089117
(1S)-N-[(4-methoxyphenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 92763777
3-methyl-N-(2-pyridin-4-ylethyl)butan-2-amine
CID 60647906
1-(2-methyl-1,3-thiazol-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 61459875
1-(2-methylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 54941173

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)-N-(2-pyridin-4-ylethyl)ethanamine?
The IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)-N-(2-pyridin-4-ylethyl)ethanamine (CID 54944257) is 1-(2-methyl-1,3-thiazol-4-yl)-N-(2-pyridin-4-ylethyl)ethanamine.
What is the SMILES notation for 1-(2-methyl-1,3-thiazol-4-yl)-N-(2-pyridin-4-ylethyl)ethanamine?
The canonical SMILES for 1-(2-methyl-1,3-thiazol-4-yl)-N-(2-pyridin-4-ylethyl)ethanamine is Cc1nc(C(C)NCCc2ccncc2)cs1.
What is the InChIKey of 1-(2-methyl-1,3-thiazol-4-yl)-N-(2-pyridin-4-ylethyl)ethanamine?
The InChIKey is MEXRXHONYWNFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-10(13-9-17-11(2)16-13)15-8-5-12-3-6-14-7-4-12/h3-4,6-7,9-10,15H,5,8H2,1-2H3.
What are the key properties of 1-(2-methyl-1,3-thiazol-4-yl)-N-(2-pyridin-4-ylethyl)ethanamine?
1-(2-methyl-1,3-thiazol-4-yl)-N-(2-pyridin-4-ylethyl)ethanamine has a molecular weight of 247.37 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-thiazol-4-yl)-N-(2-pyridin-4-ylethyl)ethanamine is sourced from PubChem (CID 54944257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).