2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-4-methylthiophen-3-amine

C13H18N4S — CID 114916514

IUPAC2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-4-methylthiophen-3-amine
SMILESCc1csc(-c2nnc(C)n2C2CCCC2)c1N
InChIInChI=1S/C13H18N4S/c1-8-7-18-12(11(8)14)13-16-15-9(2)17(13)10-5-3-4-6-10/h7,10H,3-6,14H2,1-2H3
InChIKeyKNNYERIJBVDQBY-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.32
Rot. Bonds2

About 2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-4-methylthiophen-3-amine

2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-4-methylthiophen-3-amine (PubChem CID 114916514) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-4-methylthiophen-3-amine.

Molecular Properties

Compound Name2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-4-methylthiophen-3-amine
PubChem CID114916514
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-4-methylthiophen-3-amine
SMILESCc1csc(-c2nnc(C)n2C2CCCC2)c1N
InChIInChI=1S/C13H18N4S/c1-8-7-18-12(11(8)14)13-16-15-9(2)17(13)10-5-3-4-6-10/h7,10H,3-6,14H2,1-2H3
InChIKeyKNNYERIJBVDQBY-UHFFFAOYSA-N
XLogP3.32
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-4-methylthiophen-3-amine?
The IUPAC name of 2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-4-methylthiophen-3-amine (CID 114916514) is 2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-4-methylthiophen-3-amine.
What is the SMILES notation for 2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-4-methylthiophen-3-amine?
The canonical SMILES for 2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-4-methylthiophen-3-amine is Cc1csc(-c2nnc(C)n2C2CCCC2)c1N.
What is the InChIKey of 2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-4-methylthiophen-3-amine?
The InChIKey is KNNYERIJBVDQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-8-7-18-12(11(8)14)13-16-15-9(2)17(13)10-5-3-4-6-10/h7,10H,3-6,14H2,1-2H3.
What are the key properties of 2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-4-methylthiophen-3-amine?
2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-4-methylthiophen-3-amine has a molecular weight of 262.38 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-4-methylthiophen-3-amine is sourced from PubChem (CID 114916514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).