N-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]pyridin-2-amine

C14H14N4S — CID 55075721

IUPACN-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]pyridin-2-amine
SMILESCNc1cc(Cn2ccnc2-c2cccs2)ccn1
InChIInChI=1S/C14H14N4S/c1-15-13-9-11(4-5-16-13)10-18-7-6-17-14(18)12-3-2-8-19-12/h2-9H,10H2,1H3,(H,15,16)
InChIKeyMNWQFDYFSDLBOT-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.10
Rot. Bonds4

About N-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]pyridin-2-amine

N-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]pyridin-2-amine (PubChem CID 55075721) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is N-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]pyridin-2-amine
PubChem CID55075721
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC NameN-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]pyridin-2-amine
SMILESCNc1cc(Cn2ccnc2-c2cccs2)ccn1
InChIInChI=1S/C14H14N4S/c1-15-13-9-11(4-5-16-13)10-18-7-6-17-14(18)12-3-2-8-19-12/h2-9H,10H2,1H3,(H,15,16)
InChIKeyMNWQFDYFSDLBOT-UHFFFAOYSA-N
XLogP3.10
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]pyridin-2-amine?
The IUPAC name of N-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]pyridin-2-amine (CID 55075721) is N-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]pyridin-2-amine.
What is the SMILES notation for N-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]pyridin-2-amine?
The canonical SMILES for N-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]pyridin-2-amine is CNc1cc(Cn2ccnc2-c2cccs2)ccn1.
What is the InChIKey of N-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]pyridin-2-amine?
The InChIKey is MNWQFDYFSDLBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-15-13-9-11(4-5-16-13)10-18-7-6-17-14(18)12-3-2-8-19-12/h2-9H,10H2,1H3,(H,15,16).
What are the key properties of N-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]pyridin-2-amine?
N-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]pyridin-2-amine has a molecular weight of 270.36 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 55075721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).