N-[(3-aminothiophen-2-yl)methyl]-2-(2-methylimidazol-1-yl)pyridin-3-amine

C14H15N5S — CID 66386178

IUPACN-[(3-aminothiophen-2-yl)methyl]-2-(2-methylimidazol-1-yl)pyridin-3-amine
SMILESCc1nccn1-c1ncccc1NCc1sccc1N
InChIInChI=1S/C14H15N5S/c1-10-16-6-7-19(10)14-12(3-2-5-17-14)18-9-13-11(15)4-8-20-13/h2-8,18H,9,15H2,1H3
InChIKeyOPPAYQVHROKQPY-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.83
Rot. Bonds4

About N-[(3-aminothiophen-2-yl)methyl]-2-(2-methylimidazol-1-yl)pyridin-3-amine

N-[(3-aminothiophen-2-yl)methyl]-2-(2-methylimidazol-1-yl)pyridin-3-amine (PubChem CID 66386178) has the molecular formula C14H15N5S and a molecular weight of 285.38 g/mol. Its IUPAC name is N-[(3-aminothiophen-2-yl)methyl]-2-(2-methylimidazol-1-yl)pyridin-3-amine.

Molecular Properties

Compound NameN-[(3-aminothiophen-2-yl)methyl]-2-(2-methylimidazol-1-yl)pyridin-3-amine
PubChem CID66386178
Molecular FormulaC14H15N5S
Molecular Weight285.38 g/mol
Exact Mass285.10
IUPAC NameN-[(3-aminothiophen-2-yl)methyl]-2-(2-methylimidazol-1-yl)pyridin-3-amine
SMILESCc1nccn1-c1ncccc1NCc1sccc1N
InChIInChI=1S/C14H15N5S/c1-10-16-6-7-19(10)14-12(3-2-5-17-14)18-9-13-11(15)4-8-20-13/h2-8,18H,9,15H2,1H3
InChIKeyOPPAYQVHROKQPY-UHFFFAOYSA-N
XLogP2.83
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-aminothiophen-2-yl)methyl]-2-(2-methylimidazol-1-yl)pyridin-3-amine?
The IUPAC name of N-[(3-aminothiophen-2-yl)methyl]-2-(2-methylimidazol-1-yl)pyridin-3-amine (CID 66386178) is N-[(3-aminothiophen-2-yl)methyl]-2-(2-methylimidazol-1-yl)pyridin-3-amine.
What is the SMILES notation for N-[(3-aminothiophen-2-yl)methyl]-2-(2-methylimidazol-1-yl)pyridin-3-amine?
The canonical SMILES for N-[(3-aminothiophen-2-yl)methyl]-2-(2-methylimidazol-1-yl)pyridin-3-amine is Cc1nccn1-c1ncccc1NCc1sccc1N.
What is the InChIKey of N-[(3-aminothiophen-2-yl)methyl]-2-(2-methylimidazol-1-yl)pyridin-3-amine?
The InChIKey is OPPAYQVHROKQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5S/c1-10-16-6-7-19(10)14-12(3-2-5-17-14)18-9-13-11(15)4-8-20-13/h2-8,18H,9,15H2,1H3.
What are the key properties of N-[(3-aminothiophen-2-yl)methyl]-2-(2-methylimidazol-1-yl)pyridin-3-amine?
N-[(3-aminothiophen-2-yl)methyl]-2-(2-methylimidazol-1-yl)pyridin-3-amine has a molecular weight of 285.38 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminothiophen-2-yl)methyl]-2-(2-methylimidazol-1-yl)pyridin-3-amine is sourced from PubChem (CID 66386178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).