N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-pyridin-4-ylethanamine

C16H18N4S — CID 60904183

IUPACN-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-pyridin-4-ylethanamine
SMILESCn1ccnc1C(NCCc1ccncc1)c1cccs1
InChIInChI=1S/C16H18N4S/c1-20-11-10-19-16(20)15(14-3-2-12-21-14)18-9-6-13-4-7-17-8-5-13/h2-5,7-8,10-12,15,18H,6,9H2,1H3
InChIKeyZDEPTCMTFZKQED-UHFFFAOYSA-N
MW298.42 g/mol
LogP2.80
Rot. Bonds6

About N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-pyridin-4-ylethanamine

N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-pyridin-4-ylethanamine (PubChem CID 60904183) has the molecular formula C16H18N4S and a molecular weight of 298.42 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-pyridin-4-ylethanamine
PubChem CID60904183
Molecular FormulaC16H18N4S
Molecular Weight298.42 g/mol
Exact Mass298.13
IUPAC NameN-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-pyridin-4-ylethanamine
SMILESCn1ccnc1C(NCCc1ccncc1)c1cccs1
InChIInChI=1S/C16H18N4S/c1-20-11-10-19-16(20)15(14-3-2-12-21-14)18-9-6-13-4-7-17-8-5-13/h2-5,7-8,10-12,15,18H,6,9H2,1H3
InChIKeyZDEPTCMTFZKQED-UHFFFAOYSA-N
XLogP2.80
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43754998
3-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]propan-1-ol
CID 43770573
4-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]butan-1-ol
CID 106840967
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 103917710
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-thiomorpholin-4-ylethanamine
CID 103917506
N',N'-diethyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propane-1,3-diamine
CID 43763148
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]hydroxylamine
CID 82685624
N-ethyl-2-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]ethanesulfonamide
CID 103917729
3-ethenoxy-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43771214
3-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]but-2-en-1-amine
CID 114154687
2-N,2-N-dimethyl-1-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propane-1,2-diamine
CID 54913424
1-(1-methylimidazol-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 61349832

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-pyridin-4-ylethanamine?
The IUPAC name of N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-pyridin-4-ylethanamine (CID 60904183) is N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-pyridin-4-ylethanamine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-pyridin-4-ylethanamine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-pyridin-4-ylethanamine is Cn1ccnc1C(NCCc1ccncc1)c1cccs1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-pyridin-4-ylethanamine?
The InChIKey is ZDEPTCMTFZKQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S/c1-20-11-10-19-16(20)15(14-3-2-12-21-14)18-9-6-13-4-7-17-8-5-13/h2-5,7-8,10-12,15,18H,6,9H2,1H3.
What are the key properties of N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-pyridin-4-ylethanamine?
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-pyridin-4-ylethanamine has a molecular weight of 298.42 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-pyridin-4-ylethanamine is sourced from PubChem (CID 60904183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).