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

C19H23N3OS — CID 97230992

IUPAC(1S)-1-(2,5-dimethylfuran-3-yl)-N-[(1R)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]ethanamine
SMILESCc1cc([C@H](C)N[C@H](C)c2sc(-c3cccnc3)nc2C)c(C)o1
InChIInChI=1S/C19H23N3OS/c1-11-9-17(15(5)23-11)12(2)21-13(3)18-14(4)22-19(24-18)16-7-6-8-20-10-16/h6-10,12-13,21H,1-5H3/t12-,13+/m0/s1
InChIKeyZOZDPQHMZLIPPJ-QWHCGFSZSA-N
MW341.48 g/mol
LogP5.14
Rot. Bonds5

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

(1S)-1-(2,5-dimethylfuran-3-yl)-N-[(1R)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]ethanamine (PubChem CID 97230992) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is (1S)-1-(2,5-dimethylfuran-3-yl)-N-[(1R)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(2,5-dimethylfuran-3-yl)-N-[(1R)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]ethanamine
PubChem CID97230992
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC Name(1S)-1-(2,5-dimethylfuran-3-yl)-N-[(1R)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]ethanamine
SMILESCc1cc([C@H](C)N[C@H](C)c2sc(-c3cccnc3)nc2C)c(C)o1
InChIInChI=1S/C19H23N3OS/c1-11-9-17(15(5)23-11)12(2)21-13(3)18-14(4)22-19(24-18)16-7-6-8-20-10-16/h6-10,12-13,21H,1-5H3/t12-,13+/m0/s1
InChIKeyZOZDPQHMZLIPPJ-QWHCGFSZSA-N
XLogP5.14
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.48
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanamine
CID 61287607
(1R)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-pyridin-3-ylethanamine
CID 81407144
3-methoxy-N-[(1S)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 100648662
4-methoxy-N-[1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]pyridin-2-amine
CID 75498025
2,5-dimethyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide
CID 121122150
(1S)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-3-ylethanamine
CID 81344838
N,4-dimethyl-2-pyridin-3-yl-1,3-thiazol-5-amine
CID 59580850
4-bromo-5-(3-methylbutan-2-yl)-2-pyridin-3-yl-1,3-thiazole
CID 160725077
(1R)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81373945
3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)aniline
CID 116885240
2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 127050732
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 29092301

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,5-dimethylfuran-3-yl)-N-[(1R)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]ethanamine?
The IUPAC name of (1S)-1-(2,5-dimethylfuran-3-yl)-N-[(1R)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]ethanamine (CID 97230992) is (1S)-1-(2,5-dimethylfuran-3-yl)-N-[(1R)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]ethanamine.
What is the SMILES notation for (1S)-1-(2,5-dimethylfuran-3-yl)-N-[(1R)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]ethanamine?
The canonical SMILES for (1S)-1-(2,5-dimethylfuran-3-yl)-N-[(1R)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]ethanamine is Cc1cc([C@H](C)N[C@H](C)c2sc(-c3cccnc3)nc2C)c(C)o1.
What is the InChIKey of (1S)-1-(2,5-dimethylfuran-3-yl)-N-[(1R)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]ethanamine?
The InChIKey is ZOZDPQHMZLIPPJ-QWHCGFSZSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-11-9-17(15(5)23-11)12(2)21-13(3)18-14(4)22-19(24-18)16-7-6-8-20-10-16/h6-10,12-13,21H,1-5H3/t12-,13+/m0/s1.
What are the key properties of (1S)-1-(2,5-dimethylfuran-3-yl)-N-[(1R)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]ethanamine?
(1S)-1-(2,5-dimethylfuran-3-yl)-N-[(1R)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]ethanamine has a molecular weight of 341.48 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,5-dimethylfuran-3-yl)-N-[(1R)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]ethanamine is sourced from PubChem (CID 97230992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).