1-[(5-methylthiophen-2-yl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine

C14H20N4S — CID 53192044

IUPAC1-[(5-methylthiophen-2-yl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
SMILESCc1nc(C2CCCN(Cc3ccc(C)s3)C2)n[nH]1
InChIInChI=1S/C14H20N4S/c1-10-5-6-13(19-10)9-18-7-3-4-12(8-18)14-15-11(2)16-17-14/h5-6,12H,3-4,7-9H2,1-2H3,(H,15,16,17)
InChIKeyCOJFNBIVIKXDRG-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.86
Rot. Bonds3

About 1-[(5-methylthiophen-2-yl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine

1-[(5-methylthiophen-2-yl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine (PubChem CID 53192044) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 1-[(5-methylthiophen-2-yl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name1-[(5-methylthiophen-2-yl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
PubChem CID53192044
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name1-[(5-methylthiophen-2-yl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
SMILESCc1nc(C2CCCN(Cc3ccc(C)s3)C2)n[nH]1
InChIInChI=1S/C14H20N4S/c1-10-5-6-13(19-10)9-18-7-3-4-12(8-18)14-15-11(2)16-17-14/h5-6,12H,3-4,7-9H2,1-2H3,(H,15,16,17)
InChIKeyCOJFNBIVIKXDRG-UHFFFAOYSA-N
XLogP2.86
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methylthiophen-2-yl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 1-[(5-methylthiophen-2-yl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine (CID 53192044) is 1-[(5-methylthiophen-2-yl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 1-[(5-methylthiophen-2-yl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 1-[(5-methylthiophen-2-yl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine is Cc1nc(C2CCCN(Cc3ccc(C)s3)C2)n[nH]1.
What is the InChIKey of 1-[(5-methylthiophen-2-yl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine?
The InChIKey is COJFNBIVIKXDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-10-5-6-13(19-10)9-18-7-3-4-12(8-18)14-15-11(2)16-17-14/h5-6,12H,3-4,7-9H2,1-2H3,(H,15,16,17).
What are the key properties of 1-[(5-methylthiophen-2-yl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine?
1-[(5-methylthiophen-2-yl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine has a molecular weight of 276.41 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methylthiophen-2-yl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 53192044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).