N-[(R)-1H-imidazol-2-yl(thiophen-2-yl)methyl]-5-piperidin-1-ylpyridin-2-amine

C18H21N5S — CID 124628135

IUPACN-[(R)-1H-imidazol-2-yl(thiophen-2-yl)methyl]-5-piperidin-1-ylpyridin-2-amine
SMILESc1csc([C@H](Nc2ccc(N3CCCCC3)cn2)c2ncc[nH]2)c1
InChIInChI=1S/C18H21N5S/c1-2-10-23(11-3-1)14-6-7-16(21-13-14)22-17(15-5-4-12-24-15)18-19-8-9-20-18/h4-9,12-13,17H,1-3,10-11H2,(H,19,20)(H,21,22)/t17-/m0/s1
InChIKeyQUXZIBAIZJXVQA-KRWDZBQOSA-N
MW339.47 g/mol
LogP4.06
Rot. Bonds5

About N-[(R)-1H-imidazol-2-yl(thiophen-2-yl)methyl]-5-piperidin-1-ylpyridin-2-amine

N-[(R)-1H-imidazol-2-yl(thiophen-2-yl)methyl]-5-piperidin-1-ylpyridin-2-amine (PubChem CID 124628135) has the molecular formula C18H21N5S and a molecular weight of 339.47 g/mol. Its IUPAC name is N-[(R)-1H-imidazol-2-yl(thiophen-2-yl)methyl]-5-piperidin-1-ylpyridin-2-amine.

Molecular Properties

Compound NameN-[(R)-1H-imidazol-2-yl(thiophen-2-yl)methyl]-5-piperidin-1-ylpyridin-2-amine
PubChem CID124628135
Molecular FormulaC18H21N5S
Molecular Weight339.47 g/mol
Exact Mass339.15
IUPAC NameN-[(R)-1H-imidazol-2-yl(thiophen-2-yl)methyl]-5-piperidin-1-ylpyridin-2-amine
SMILESc1csc([C@H](Nc2ccc(N3CCCCC3)cn2)c2ncc[nH]2)c1
InChIInChI=1S/C18H21N5S/c1-2-10-23(11-3-1)14-6-7-16(21-13-14)22-17(15-5-4-12-24-15)18-19-8-9-20-18/h4-9,12-13,17H,1-3,10-11H2,(H,19,20)(H,21,22)/t17-/m0/s1
InChIKeyQUXZIBAIZJXVQA-KRWDZBQOSA-N
XLogP4.06
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.47
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(R)-1H-imidazol-2-yl(thiophen-2-yl)methyl]-5-piperidin-1-ylpyridin-2-amine?
The IUPAC name of N-[(R)-1H-imidazol-2-yl(thiophen-2-yl)methyl]-5-piperidin-1-ylpyridin-2-amine (CID 124628135) is N-[(R)-1H-imidazol-2-yl(thiophen-2-yl)methyl]-5-piperidin-1-ylpyridin-2-amine.
What is the SMILES notation for N-[(R)-1H-imidazol-2-yl(thiophen-2-yl)methyl]-5-piperidin-1-ylpyridin-2-amine?
The canonical SMILES for N-[(R)-1H-imidazol-2-yl(thiophen-2-yl)methyl]-5-piperidin-1-ylpyridin-2-amine is c1csc([C@H](Nc2ccc(N3CCCCC3)cn2)c2ncc[nH]2)c1.
What is the InChIKey of N-[(R)-1H-imidazol-2-yl(thiophen-2-yl)methyl]-5-piperidin-1-ylpyridin-2-amine?
The InChIKey is QUXZIBAIZJXVQA-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21N5S/c1-2-10-23(11-3-1)14-6-7-16(21-13-14)22-17(15-5-4-12-24-15)18-19-8-9-20-18/h4-9,12-13,17H,1-3,10-11H2,(H,19,20)(H,21,22)/t17-/m0/s1.
What are the key properties of N-[(R)-1H-imidazol-2-yl(thiophen-2-yl)methyl]-5-piperidin-1-ylpyridin-2-amine?
N-[(R)-1H-imidazol-2-yl(thiophen-2-yl)methyl]-5-piperidin-1-ylpyridin-2-amine has a molecular weight of 339.47 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-1H-imidazol-2-yl(thiophen-2-yl)methyl]-5-piperidin-1-ylpyridin-2-amine is sourced from PubChem (CID 124628135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).