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

C12H16N2OS — CID 81409314

IUPAC(1S)-1-(furan-2-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
SMILESCc1nc(C(C)N[C@@H](C)c2ccco2)cs1
InChIInChI=1S/C12H16N2OS/c1-8(11-7-16-10(3)14-11)13-9(2)12-5-4-6-15-12/h4-9,13H,1-3H3/t8?,9-/m0/s1
InChIKeyMDXZBNOMCLUZGF-GKAPJAKFSA-N
MW236.34 g/mol
LogP3.46
Rot. Bonds4

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

(1S)-1-(furan-2-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine (PubChem CID 81409314) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is (1S)-1-(furan-2-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(furan-2-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
PubChem CID81409314
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name(1S)-1-(furan-2-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
SMILESCc1nc(C(C)N[C@@H](C)c2ccco2)cs1
InChIInChI=1S/C12H16N2OS/c1-8(11-7-16-10(3)14-11)13-9(2)12-5-4-6-15-12/h4-9,13H,1-3H3/t8?,9-/m0/s1
InChIKeyMDXZBNOMCLUZGF-GKAPJAKFSA-N
XLogP3.46
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzofuran-2-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 43722038
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(furan-2-yl)ethanamine
CID 43535437
(1R)-1-(furan-2-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine
CID 104865982
(1S)-1-(4-fluorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 81346960
(1R)-1-(2-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 81396832
2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-1-ol
CID 43670319
(1R)-N-[1-(furan-2-yl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81350046
N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 55088903
(1R)-N-[1-(furan-2-yl)ethyl]-1-phenylethanamine
CID 81351264
N-[1-(furan-2-yl)ethyl]-1-phenylethanamine
CID 43177136
N-[1-(3,5-dimethylphenyl)ethyl]-1-(furan-2-yl)ethanamine
CID 81301586
N-[(1R)-1-(furan-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 81403686

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(furan-2-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine?
The IUPAC name of (1S)-1-(furan-2-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine (CID 81409314) is (1S)-1-(furan-2-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine.
What is the SMILES notation for (1S)-1-(furan-2-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine?
The canonical SMILES for (1S)-1-(furan-2-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine is Cc1nc(C(C)N[C@@H](C)c2ccco2)cs1.
What is the InChIKey of (1S)-1-(furan-2-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine?
The InChIKey is MDXZBNOMCLUZGF-GKAPJAKFSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-8(11-7-16-10(3)14-11)13-9(2)12-5-4-6-15-12/h4-9,13H,1-3H3/t8?,9-/m0/s1.
What are the key properties of (1S)-1-(furan-2-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine?
(1S)-1-(furan-2-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine has a molecular weight of 236.34 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(furan-2-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine is sourced from PubChem (CID 81409314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).