(1S)-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-1-thiophen-2-ylethanamine

C15H17N3S2 — CID 81398838

IUPAC(1S)-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-1-thiophen-2-ylethanamine
SMILESC[C@H](NC(c1cccs1)c1nccn1C)c1cccs1
InChIInChI=1S/C15H17N3S2/c1-11(12-5-3-9-19-12)17-14(13-6-4-10-20-13)15-16-7-8-18(15)2/h3-11,14,17H,1-2H3/t11-,14?/m0/s1
InChIKeyQIDXWBFMPJSDHY-ZSOXZCCMSA-N
MW303.46 g/mol
LogP3.98
Rot. Bonds5

About (1S)-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-1-thiophen-2-ylethanamine

(1S)-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-1-thiophen-2-ylethanamine (PubChem CID 81398838) has the molecular formula C15H17N3S2 and a molecular weight of 303.46 g/mol. Its IUPAC name is (1S)-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-1-thiophen-2-ylethanamine
PubChem CID81398838
Molecular FormulaC15H17N3S2
Molecular Weight303.46 g/mol
Exact Mass303.09
IUPAC Name(1S)-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-1-thiophen-2-ylethanamine
SMILESC[C@H](NC(c1cccs1)c1nccn1C)c1cccs1
InChIInChI=1S/C15H17N3S2/c1-11(12-5-3-9-19-12)17-14(13-6-4-10-20-13)15-16-7-8-18(15)2/h3-11,14,17H,1-2H3/t11-,14?/m0/s1
InChIKeyQIDXWBFMPJSDHY-ZSOXZCCMSA-N
XLogP3.98
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-1-thiophen-2-ylethanamine
CID 43770265
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]hydroxylamine
CID 82685624
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-1-pyrazol-1-ylpropan-2-amine
CID 43791812
2-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-3-methylsulfanylpropan-1-amine
CID 63981936
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43754998
2-N,2-N-dimethyl-1-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propane-1,2-diamine
CID 54913424
2-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]but-3-yn-2-amine
CID 63999346
3-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]propan-1-ol
CID 43770573
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-pyridin-4-ylethanamine
CID 60904183
3-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]but-2-en-1-amine
CID 114154687
4-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]butan-1-ol
CID 106840967
3-chloro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline
CID 43762036

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-1-thiophen-2-ylethanamine?
The IUPAC name of (1S)-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-1-thiophen-2-ylethanamine (CID 81398838) is (1S)-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for (1S)-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for (1S)-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-1-thiophen-2-ylethanamine is C[C@H](NC(c1cccs1)c1nccn1C)c1cccs1.
What is the InChIKey of (1S)-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-1-thiophen-2-ylethanamine?
The InChIKey is QIDXWBFMPJSDHY-ZSOXZCCMSA-N. The full InChI is InChI=1S/C15H17N3S2/c1-11(12-5-3-9-19-12)17-14(13-6-4-10-20-13)15-16-7-8-18(15)2/h3-11,14,17H,1-2H3/t11-,14?/m0/s1.
What are the key properties of (1S)-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-1-thiophen-2-ylethanamine?
(1S)-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-1-thiophen-2-ylethanamine has a molecular weight of 303.46 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 81398838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).