(1S)-N-[(1-ethylimidazol-2-yl)methyl]-1-thiophen-2-ylethanamine

C12H17N3S — CID 81398756

IUPAC(1S)-N-[(1-ethylimidazol-2-yl)methyl]-1-thiophen-2-ylethanamine
SMILESCCn1ccnc1CN[C@@H](C)c1cccs1
InChIInChI=1S/C12H17N3S/c1-3-15-7-6-13-12(15)9-14-10(2)11-5-4-8-16-11/h4-8,10,14H,3,9H2,1-2H3/t10-/m0/s1
InChIKeyKLRIHQRIQNIREK-JTQLQIEISA-N
MW235.36 g/mol
LogP2.82
Rot. Bonds5

About (1S)-N-[(1-ethylimidazol-2-yl)methyl]-1-thiophen-2-ylethanamine

(1S)-N-[(1-ethylimidazol-2-yl)methyl]-1-thiophen-2-ylethanamine (PubChem CID 81398756) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is (1S)-N-[(1-ethylimidazol-2-yl)methyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[(1-ethylimidazol-2-yl)methyl]-1-thiophen-2-ylethanamine
PubChem CID81398756
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name(1S)-N-[(1-ethylimidazol-2-yl)methyl]-1-thiophen-2-ylethanamine
SMILESCCn1ccnc1CN[C@@H](C)c1cccs1
InChIInChI=1S/C12H17N3S/c1-3-15-7-6-13-12(15)9-14-10(2)11-5-4-8-16-11/h4-8,10,14H,3,9H2,1-2H3/t10-/m0/s1
InChIKeyKLRIHQRIQNIREK-JTQLQIEISA-N
XLogP2.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-thiophen-2-ylethanamine
CID 81408360
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 115709775
N-[(1-ethylimidazol-2-yl)methyl]-1-thiophen-3-ylethanamine
CID 62841853
(1R)-N-[(1-ethylimidazol-2-yl)methyl]-1-pyridin-2-ylethanamine
CID 81401652
N-[(3-ethylimidazol-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 66133359
(1S)-1-(3,4-dichlorophenyl)-N-[(1-ethylimidazol-2-yl)methyl]ethanamine
CID 94410101
(1S)-N-[(2-ethylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 104939449
(2R)-2-[(1-ethylimidazol-2-yl)methylamino]propan-1-ol
CID 114985494
N-[(3-methyl-2-pyridinyl)methyl]-1-thiophen-2-ylethanamine
CID 63306075
(1S)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 81409230
N-[(2-pyrazol-1-ylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 61166529
(1S)-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 97232757

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(1-ethylimidazol-2-yl)methyl]-1-thiophen-2-ylethanamine?
The IUPAC name of (1S)-N-[(1-ethylimidazol-2-yl)methyl]-1-thiophen-2-ylethanamine (CID 81398756) is (1S)-N-[(1-ethylimidazol-2-yl)methyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for (1S)-N-[(1-ethylimidazol-2-yl)methyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for (1S)-N-[(1-ethylimidazol-2-yl)methyl]-1-thiophen-2-ylethanamine is CCn1ccnc1CN[C@@H](C)c1cccs1.
What is the InChIKey of (1S)-N-[(1-ethylimidazol-2-yl)methyl]-1-thiophen-2-ylethanamine?
The InChIKey is KLRIHQRIQNIREK-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17N3S/c1-3-15-7-6-13-12(15)9-14-10(2)11-5-4-8-16-11/h4-8,10,14H,3,9H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-N-[(1-ethylimidazol-2-yl)methyl]-1-thiophen-2-ylethanamine?
(1S)-N-[(1-ethylimidazol-2-yl)methyl]-1-thiophen-2-ylethanamine has a molecular weight of 235.36 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(1-ethylimidazol-2-yl)methyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 81398756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).