3-[3-[(5-methylthiophen-2-yl)methyl]imidazol-4-yl]pyridin-2-amine

C14H14N4S — CID 114719802

IUPAC3-[3-[(5-methylthiophen-2-yl)methyl]imidazol-4-yl]pyridin-2-amine
SMILESCc1ccc(Cn2cncc2-c2cccnc2N)s1
InChIInChI=1S/C14H14N4S/c1-10-4-5-11(19-10)8-18-9-16-7-13(18)12-3-2-6-17-14(12)15/h2-7,9H,8H2,1H3,(H2,15,17)
InChIKeyJCVRIKPHEFJNMV-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.95
Rot. Bonds3

About 3-[3-[(5-methylthiophen-2-yl)methyl]imidazol-4-yl]pyridin-2-amine

3-[3-[(5-methylthiophen-2-yl)methyl]imidazol-4-yl]pyridin-2-amine (PubChem CID 114719802) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is 3-[3-[(5-methylthiophen-2-yl)methyl]imidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-[(5-methylthiophen-2-yl)methyl]imidazol-4-yl]pyridin-2-amine
PubChem CID114719802
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name3-[3-[(5-methylthiophen-2-yl)methyl]imidazol-4-yl]pyridin-2-amine
SMILESCc1ccc(Cn2cncc2-c2cccnc2N)s1
InChIInChI=1S/C14H14N4S/c1-10-4-5-11(19-10)8-18-9-16-7-13(18)12-3-2-6-17-14(12)15/h2-7,9H,8H2,1H3,(H2,15,17)
InChIKeyJCVRIKPHEFJNMV-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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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(5-methylthiophen-2-yl)methyl]imidazol-4-yl]pyridin-2-amine?
The IUPAC name of 3-[3-[(5-methylthiophen-2-yl)methyl]imidazol-4-yl]pyridin-2-amine (CID 114719802) is 3-[3-[(5-methylthiophen-2-yl)methyl]imidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-[(5-methylthiophen-2-yl)methyl]imidazol-4-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-[(5-methylthiophen-2-yl)methyl]imidazol-4-yl]pyridin-2-amine is Cc1ccc(Cn2cncc2-c2cccnc2N)s1.
What is the InChIKey of 3-[3-[(5-methylthiophen-2-yl)methyl]imidazol-4-yl]pyridin-2-amine?
The InChIKey is JCVRIKPHEFJNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-10-4-5-11(19-10)8-18-9-16-7-13(18)12-3-2-6-17-14(12)15/h2-7,9H,8H2,1H3,(H2,15,17).
What are the key properties of 3-[3-[(5-methylthiophen-2-yl)methyl]imidazol-4-yl]pyridin-2-amine?
3-[3-[(5-methylthiophen-2-yl)methyl]imidazol-4-yl]pyridin-2-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-[(5-methylthiophen-2-yl)methyl]imidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 114719802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).