5-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine

C14H19ClN4S — CID 80606722

IUPAC5-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(CN(C)C(C)c2ccc(Cl)cc2)s1
InChIInChI=1S/C14H19ClN4S/c1-4-16-14-18-17-13(20-14)9-19(3)10(2)11-5-7-12(15)8-6-11/h5-8,10H,4,9H2,1-3H3,(H,16,18)
InChIKeyLBVHUXIGEWZHCW-UHFFFAOYSA-N
MW310.85 g/mol
LogP3.82
Rot. Bonds6

About 5-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine

5-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine (PubChem CID 80606722) has the molecular formula C14H19ClN4S and a molecular weight of 310.85 g/mol. Its IUPAC name is 5-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
PubChem CID80606722
Molecular FormulaC14H19ClN4S
Molecular Weight310.85 g/mol
Exact Mass310.10
IUPAC Name5-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(CN(C)C(C)c2ccc(Cl)cc2)s1
InChIInChI=1S/C14H19ClN4S/c1-4-16-14-18-17-13(20-14)9-19(3)10(2)11-5-7-12(15)8-6-11/h5-8,10H,4,9H2,1-3H3,(H,16,18)
InChIKeyLBVHUXIGEWZHCW-UHFFFAOYSA-N
XLogP3.82
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine (CID 80606722) is 5-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine is CCNc1nnc(CN(C)C(C)c2ccc(Cl)cc2)s1.
What is the InChIKey of 5-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is LBVHUXIGEWZHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4S/c1-4-16-14-18-17-13(20-14)9-19(3)10(2)11-5-7-12(15)8-6-11/h5-8,10H,4,9H2,1-3H3,(H,16,18).
What are the key properties of 5-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine?
5-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 310.85 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80606722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).