N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]thian-4-amine

C11H20N4S — CID 50950981

IUPACN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]thian-4-amine
SMILESCCn1cnnc1CCNC1CCSCC1
InChIInChI=1S/C11H20N4S/c1-2-15-9-13-14-11(15)3-6-12-10-4-7-16-8-5-10/h9-10,12H,2-8H2,1H3
InChIKeyCDZBTXOWUXKBPX-UHFFFAOYSA-N
MW240.38 g/mol
LogP1.33
Rot. Bonds5

About N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]thian-4-amine

N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]thian-4-amine (PubChem CID 50950981) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]thian-4-amine.

Molecular Properties

Compound NameN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]thian-4-amine
PubChem CID50950981
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC NameN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]thian-4-amine
SMILESCCn1cnnc1CCNC1CCSCC1
InChIInChI=1S/C11H20N4S/c1-2-15-9-13-14-11(15)3-6-12-10-4-7-16-8-5-10/h9-10,12H,2-8H2,1H3
InChIKeyCDZBTXOWUXKBPX-UHFFFAOYSA-N
XLogP1.33
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]thian-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-ethyl-4H-1,2,4-triazol-4-yl)piperidine
CID 83282897
N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]tetrahydrothiophen-3-amine
CID 50962208
N-[(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl]-1-(ethylthio)propan-2-amine
CID 56709396
1,4-dithiepan-6-yl[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]amine
CID 56722329
1-(4-methyl-1,2,4-triazol-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 116615516
2-(4-methyl-1,2,4-triazol-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 116615563
N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)ethyl]tetrahydro-2H-thiopyran-4-amine
CID 50971482
(1-ethylpropyl)[2-(4-isopropyl-4H-1,2,4-triazol-3-yl)ethyl]amine
CID 50978226
N-{1-[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]ethyl}tetrahydro-2H-thiopyran-4-amine
CID 50978615
1,4-dithiepan-6-yl[1-(1-ethyl-1H-1,2,4-triazol-5-yl)ethyl]amine
CID 56701451
1,4-dithiepan-6-yl[2-(4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]amine
CID 56703114
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine
CID 62693874

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]thian-4-amine?
The IUPAC name of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]thian-4-amine (CID 50950981) is N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]thian-4-amine.
What is the SMILES notation for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]thian-4-amine?
The canonical SMILES for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]thian-4-amine is CCn1cnnc1CCNC1CCSCC1.
What is the InChIKey of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]thian-4-amine?
The InChIKey is CDZBTXOWUXKBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-2-15-9-13-14-11(15)3-6-12-10-4-7-16-8-5-10/h9-10,12H,2-8H2,1H3.
What are the key properties of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]thian-4-amine?
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]thian-4-amine has a molecular weight of 240.38 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]thian-4-amine is sourced from PubChem (CID 50950981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).