(1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-pyridin-4-ylethanamine

C13H17N3S — CID 81409765

IUPAC(1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-pyridin-4-ylethanamine
SMILESCCc1nc(CN[C@@H](C)c2ccncc2)cs1
InChIInChI=1S/C13H17N3S/c1-3-13-16-12(9-17-13)8-15-10(2)11-4-6-14-7-5-11/h4-7,9-10,15H,3,8H2,1-2H3/t10-/m0/s1
InChIKeyOCWUAXHMNGQVMU-JTQLQIEISA-N
MW247.37 g/mol
LogP2.95
Rot. Bonds5

About (1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-pyridin-4-ylethanamine

(1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-pyridin-4-ylethanamine (PubChem CID 81409765) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is (1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-pyridin-4-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-pyridin-4-ylethanamine
PubChem CID81409765
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name(1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-pyridin-4-ylethanamine
SMILESCCc1nc(CN[C@@H](C)c2ccncc2)cs1
InChIInChI=1S/C13H17N3S/c1-3-13-16-12(9-17-13)8-15-10(2)11-4-6-14-7-5-11/h4-7,9-10,15H,3,8H2,1-2H3/t10-/m0/s1
InChIKeyOCWUAXHMNGQVMU-JTQLQIEISA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 60726588
(1R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 28781245
(1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 81365728
N-[4-[(1R)-1-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]propanamide
CID 95180705
(1R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 81410306
(1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 95180733
1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(1R)-1-pyridin-4-ylethyl]urea
CID 95300643
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pentan-3-amine
CID 60727178
2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]propan-1-ol
CID 62070996
N-[[2-(pyridin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 55086572
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-pyridin-4-ylethanamine
CID 54883465
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 112697003

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-pyridin-4-ylethanamine?
The IUPAC name of (1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-pyridin-4-ylethanamine (CID 81409765) is (1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-pyridin-4-ylethanamine.
What is the SMILES notation for (1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-pyridin-4-ylethanamine?
The canonical SMILES for (1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-pyridin-4-ylethanamine is CCc1nc(CN[C@@H](C)c2ccncc2)cs1.
What is the InChIKey of (1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-pyridin-4-ylethanamine?
The InChIKey is OCWUAXHMNGQVMU-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17N3S/c1-3-13-16-12(9-17-13)8-15-10(2)11-4-6-14-7-5-11/h4-7,9-10,15H,3,8H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-pyridin-4-ylethanamine?
(1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-pyridin-4-ylethanamine has a molecular weight of 247.37 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-pyridin-4-ylethanamine is sourced from PubChem (CID 81409765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).