N-[1-(1-methyltriazol-4-yl)ethyl]thiophen-3-amine

C9H12N4S — CID 165353746

IUPACN-[1-(1-methyltriazol-4-yl)ethyl]thiophen-3-amine
SMILESCC(Nc1ccsc1)c1cn(C)nn1
InChIInChI=1S/C9H12N4S/c1-7(9-5-13(2)12-11-9)10-8-3-4-14-6-8/h3-7,10H,1-2H3
InChIKeyCADSRHHMDXQKML-UHFFFAOYSA-N
MW208.29 g/mol
LogP2.05
Rot. Bonds3

About N-[1-(1-methyltriazol-4-yl)ethyl]thiophen-3-amine

N-[1-(1-methyltriazol-4-yl)ethyl]thiophen-3-amine (PubChem CID 165353746) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is N-[1-(1-methyltriazol-4-yl)ethyl]thiophen-3-amine.

Molecular Properties

Compound NameN-[1-(1-methyltriazol-4-yl)ethyl]thiophen-3-amine
PubChem CID165353746
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC NameN-[1-(1-methyltriazol-4-yl)ethyl]thiophen-3-amine
SMILESCC(Nc1ccsc1)c1cn(C)nn1
InChIInChI=1S/C9H12N4S/c1-7(9-5-13(2)12-11-9)10-8-3-4-14-6-8/h3-7,10H,1-2H3
InChIKeyCADSRHHMDXQKML-UHFFFAOYSA-N
XLogP2.05
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methyltriazol-4-yl)ethyl]thiophen-3-amine?
The IUPAC name of N-[1-(1-methyltriazol-4-yl)ethyl]thiophen-3-amine (CID 165353746) is N-[1-(1-methyltriazol-4-yl)ethyl]thiophen-3-amine.
What is the SMILES notation for N-[1-(1-methyltriazol-4-yl)ethyl]thiophen-3-amine?
The canonical SMILES for N-[1-(1-methyltriazol-4-yl)ethyl]thiophen-3-amine is CC(Nc1ccsc1)c1cn(C)nn1.
What is the InChIKey of N-[1-(1-methyltriazol-4-yl)ethyl]thiophen-3-amine?
The InChIKey is CADSRHHMDXQKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1-7(9-5-13(2)12-11-9)10-8-3-4-14-6-8/h3-7,10H,1-2H3.
What are the key properties of N-[1-(1-methyltriazol-4-yl)ethyl]thiophen-3-amine?
N-[1-(1-methyltriazol-4-yl)ethyl]thiophen-3-amine has a molecular weight of 208.29 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methyltriazol-4-yl)ethyl]thiophen-3-amine is sourced from PubChem (CID 165353746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).