(1S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-4-ylethanamine

C13H17N3S — CID 81406260

IUPAC(1S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-4-ylethanamine
SMILESCc1ncsc1CCN[C@@H](C)c1ccncc1
InChIInChI=1S/C13H17N3S/c1-10(12-3-6-14-7-4-12)15-8-5-13-11(2)16-9-17-13/h3-4,6-7,9-10,15H,5,8H2,1-2H3/t10-/m0/s1
InChIKeyZACUWOXDZVHWQR-JTQLQIEISA-N
MW247.37 g/mol
LogP2.74
Rot. Bonds5

About (1S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-4-ylethanamine

(1S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-4-ylethanamine (PubChem CID 81406260) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is (1S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-4-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-4-ylethanamine
PubChem CID81406260
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name(1S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-4-ylethanamine
SMILESCc1ncsc1CCN[C@@H](C)c1ccncc1
InChIInChI=1S/C13H17N3S/c1-10(12-3-6-14-7-4-12)15-8-5-13-11(2)16-9-17-13/h3-4,6-7,9-10,15H,5,8H2,1-2H3/t10-/m0/s1
InChIKeyZACUWOXDZVHWQR-JTQLQIEISA-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

(1S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-2-ylethanamine
CID 81407952
(1S)-1-(3-chlorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 81372103
(1R)-1-(3-bromophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 81381393
(1R)-1-(furan-2-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 81400379
4-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pentan-2-amine
CID 62069755
1-pyridin-4-yl-N-(2-thiophen-2-ylethyl)ethanamine
CID 43195171
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 62069606
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-4-ylethane-1,2-diamine
CID 63843483
(1S)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81371084
2-methyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]propan-1-ol
CID 65035743
(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 97048241
(1S)-1-pyridin-4-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81406357

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-4-ylethanamine?
The IUPAC name of (1S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-4-ylethanamine (CID 81406260) is (1S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-4-ylethanamine.
What is the SMILES notation for (1S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-4-ylethanamine?
The canonical SMILES for (1S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-4-ylethanamine is Cc1ncsc1CCN[C@@H](C)c1ccncc1.
What is the InChIKey of (1S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-4-ylethanamine?
The InChIKey is ZACUWOXDZVHWQR-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17N3S/c1-10(12-3-6-14-7-4-12)15-8-5-13-11(2)16-9-17-13/h3-4,6-7,9-10,15H,5,8H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-4-ylethanamine?
(1S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-4-ylethanamine 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 (1S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-4-ylethanamine is sourced from PubChem (CID 81406260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).