3-[3-[(3-methylthiophen-2-yl)methyl]imidazol-4-yl]pyridin-4-amine

C14H14N4S — CID 114721352

IUPAC3-[3-[(3-methylthiophen-2-yl)methyl]imidazol-4-yl]pyridin-4-amine
SMILESCc1ccsc1Cn1cncc1-c1cnccc1N
InChIInChI=1S/C14H14N4S/c1-10-3-5-19-14(10)8-18-9-17-7-13(18)11-6-16-4-2-12(11)15/h2-7,9H,8H2,1H3,(H2,15,16)
InChIKeyXDSHZHURDROOGU-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.95
Rot. Bonds3

About 3-[3-[(3-methylthiophen-2-yl)methyl]imidazol-4-yl]pyridin-4-amine

3-[3-[(3-methylthiophen-2-yl)methyl]imidazol-4-yl]pyridin-4-amine (PubChem CID 114721352) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is 3-[3-[(3-methylthiophen-2-yl)methyl]imidazol-4-yl]pyridin-4-amine.

Molecular Properties

Compound Name3-[3-[(3-methylthiophen-2-yl)methyl]imidazol-4-yl]pyridin-4-amine
PubChem CID114721352
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name3-[3-[(3-methylthiophen-2-yl)methyl]imidazol-4-yl]pyridin-4-amine
SMILESCc1ccsc1Cn1cncc1-c1cnccc1N
InChIInChI=1S/C14H14N4S/c1-10-3-5-19-14(10)8-18-9-17-7-13(18)11-6-16-4-2-12(11)15/h2-7,9H,8H2,1H3,(H2,15,16)
InChIKeyXDSHZHURDROOGU-UHFFFAOYSA-N
XLogP2.95
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[(4-methylphenyl)methyl]imidazol-4-yl]pyridin-4-amine
CID 114716960
3-[3-(1,2-oxazol-5-ylmethyl)imidazol-4-yl]pyridin-4-amine
CID 106422521
3-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]pyridin-4-amine
CID 114716564
3-(3-prop-2-enylimidazol-4-yl)pyridin-4-amine
CID 114717599
3-(3-pent-3-ynylimidazol-4-yl)pyridin-4-amine
CID 114722467
3-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]pyridin-4-amine
CID 114717841
3-[3-(4-methyl-3-pyridinyl)imidazol-4-yl]pyridin-4-amine
CID 114720350
3-[3-(2-imidazol-1-ylethyl)imidazol-4-yl]pyridin-4-amine
CID 114719696
3-[3-(2-pyrrolidin-1-ylpropyl)imidazol-4-yl]pyridin-4-amine
CID 114721375
3-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]pyridin-4-amine
CID 106327236
3-[3-(2-cyclobutylethyl)imidazol-4-yl]pyridin-4-amine
CID 114722229
3-[3-[3-[methyl(propan-2-yl)amino]propyl]imidazol-4-yl]pyridin-4-amine
CID 106041102

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3-methylthiophen-2-yl)methyl]imidazol-4-yl]pyridin-4-amine?
The IUPAC name of 3-[3-[(3-methylthiophen-2-yl)methyl]imidazol-4-yl]pyridin-4-amine (CID 114721352) is 3-[3-[(3-methylthiophen-2-yl)methyl]imidazol-4-yl]pyridin-4-amine.
What is the SMILES notation for 3-[3-[(3-methylthiophen-2-yl)methyl]imidazol-4-yl]pyridin-4-amine?
The canonical SMILES for 3-[3-[(3-methylthiophen-2-yl)methyl]imidazol-4-yl]pyridin-4-amine is Cc1ccsc1Cn1cncc1-c1cnccc1N.
What is the InChIKey of 3-[3-[(3-methylthiophen-2-yl)methyl]imidazol-4-yl]pyridin-4-amine?
The InChIKey is XDSHZHURDROOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-10-3-5-19-14(10)8-18-9-17-7-13(18)11-6-16-4-2-12(11)15/h2-7,9H,8H2,1H3,(H2,15,16).
What are the key properties of 3-[3-[(3-methylthiophen-2-yl)methyl]imidazol-4-yl]pyridin-4-amine?
3-[3-[(3-methylthiophen-2-yl)methyl]imidazol-4-yl]pyridin-4-amine has a molecular weight of 270.36 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3-methylthiophen-2-yl)methyl]imidazol-4-yl]pyridin-4-amine is sourced from PubChem (CID 114721352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).