(1S)-N-[(1R)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-thiophen-3-ylethanamine

C13H18N2S2 — CID 99637053

IUPAC(1S)-N-[(1R)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-thiophen-3-ylethanamine
SMILESCCc1cnc([C@@H](C)N[C@@H](C)c2ccsc2)s1
InChIInChI=1S/C13H18N2S2/c1-4-12-7-14-13(17-12)10(3)15-9(2)11-5-6-16-8-11/h5-10,15H,4H2,1-3H3/t9-,10+/m0/s1
InChIKeyYHZOTJSHQCCUPQ-VHSXEESVSA-N
MW266.44 g/mol
LogP4.18
Rot. Bonds5

About (1S)-N-[(1R)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-thiophen-3-ylethanamine

(1S)-N-[(1R)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-thiophen-3-ylethanamine (PubChem CID 99637053) has the molecular formula C13H18N2S2 and a molecular weight of 266.44 g/mol. Its IUPAC name is (1S)-N-[(1R)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-thiophen-3-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[(1R)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-thiophen-3-ylethanamine
PubChem CID99637053
Molecular FormulaC13H18N2S2
Molecular Weight266.44 g/mol
Exact Mass266.09
IUPAC Name(1S)-N-[(1R)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-thiophen-3-ylethanamine
SMILESCCc1cnc([C@@H](C)N[C@@H](C)c2ccsc2)s1
InChIInChI=1S/C13H18N2S2/c1-4-12-7-14-13(17-12)10(3)15-9(2)11-5-6-16-8-11/h5-10,15H,4H2,1-3H3/t9-,10+/m0/s1
InChIKeyYHZOTJSHQCCUPQ-VHSXEESVSA-N
XLogP4.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.44
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]ethyl]benzene-1,3-diol
CID 107707104
1-thiophen-3-yl-N-(1-thiophen-3-ylethyl)ethanamine
CID 14249916
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(1-methylpyrazol-4-yl)ethanamine
CID 112700496
1-(5-bromothiophen-2-yl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 112700486
1-(4-ethylphenyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 115726807
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 112700001
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylpentan-3-amine
CID 115726821
1-(2,4-difluorophenyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 115679837
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(1-methylimidazol-2-yl)ethanamine
CID 112551903
1-(1-benzothiophen-2-yl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 114910046
N-(1-pyridin-2-ylethyl)-1-thiophen-3-ylethanamine
CID 62089613
1-(5-ethyl-1,3-thiazol-2-yl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
CID 112696852

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(1R)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-thiophen-3-ylethanamine?
The IUPAC name of (1S)-N-[(1R)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-thiophen-3-ylethanamine (CID 99637053) is (1S)-N-[(1R)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-thiophen-3-ylethanamine.
What is the SMILES notation for (1S)-N-[(1R)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-thiophen-3-ylethanamine?
The canonical SMILES for (1S)-N-[(1R)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-thiophen-3-ylethanamine is CCc1cnc([C@@H](C)N[C@@H](C)c2ccsc2)s1.
What is the InChIKey of (1S)-N-[(1R)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-thiophen-3-ylethanamine?
The InChIKey is YHZOTJSHQCCUPQ-VHSXEESVSA-N. The full InChI is InChI=1S/C13H18N2S2/c1-4-12-7-14-13(17-12)10(3)15-9(2)11-5-6-16-8-11/h5-10,15H,4H2,1-3H3/t9-,10+/m0/s1.
What are the key properties of (1S)-N-[(1R)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-thiophen-3-ylethanamine?
(1S)-N-[(1R)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-thiophen-3-ylethanamine has a molecular weight of 266.44 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(1R)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-thiophen-3-ylethanamine is sourced from PubChem (CID 99637053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).