2-N-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-phenylpropane-1,2-diamine

C13H18N4S — CID 65277594

IUPAC2-N-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-phenylpropane-1,2-diamine
SMILESCCc1nsc(NC(CN)Cc2ccccc2)n1
InChIInChI=1S/C13H18N4S/c1-2-12-16-13(18-17-12)15-11(9-14)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9,14H2,1H3,(H,15,16,17)
InChIKeyPLTRSXGXPOUYNH-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.08
Rot. Bonds6

About 2-N-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-phenylpropane-1,2-diamine

2-N-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-phenylpropane-1,2-diamine (PubChem CID 65277594) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-N-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-phenylpropane-1,2-diamine
PubChem CID65277594
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name2-N-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-phenylpropane-1,2-diamine
SMILESCCc1nsc(NC(CN)Cc2ccccc2)n1
InChIInChI=1S/C13H18N4S/c1-2-12-16-13(18-17-12)15-11(9-14)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9,14H2,1H3,(H,15,16,17)
InChIKeyPLTRSXGXPOUYNH-UHFFFAOYSA-N
XLogP2.08
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-phenylpropane-1,2-diamine 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

2-N-(4-ethyl-1,3-thiazol-2-yl)-3-phenylpropane-1,2-diamine
CID 55242376
2-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropane-1,2-diamine
CID 65168876
4-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]-5-phenylpentanoic acid
CID 122064209
3-N-(3-benzyl-1,2,4-thiadiazol-5-yl)butane-2,3-diamine
CID 143676361
3-phenyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol
CID 107304943
N-(1-chloro-3-phenylpropan-2-yl)-4-ethyl-1,3-thiazol-2-amine
CID 65029172
2-N-(2,6-dimethylpyrimidin-4-yl)-3-phenylpropane-1,2-diamine
CID 63760552
3-N-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]pentane-1,3-diamine
CID 66879276
3-ethyl-N-hex-5-yn-3-yl-1,2,4-thiadiazol-5-amine
CID 115681041
2-N-(2-fluorophenyl)-3-phenylpropane-1,2-diamine
CID 65378979
N-methyl-3-(2-phenylethyl)-1,2,4-thiadiazol-5-amine
CID 65269019
3-ethyl-N-(1-thiophen-2-ylbutyl)-1,2,4-thiadiazol-5-amine
CID 65276998

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-phenylpropane-1,2-diamine?
The IUPAC name of 2-N-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-phenylpropane-1,2-diamine (CID 65277594) is 2-N-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-phenylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-phenylpropane-1,2-diamine?
The canonical SMILES for 2-N-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-phenylpropane-1,2-diamine is CCc1nsc(NC(CN)Cc2ccccc2)n1.
What is the InChIKey of 2-N-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-phenylpropane-1,2-diamine?
The InChIKey is PLTRSXGXPOUYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-2-12-16-13(18-17-12)15-11(9-14)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9,14H2,1H3,(H,15,16,17).
What are the key properties of 2-N-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-phenylpropane-1,2-diamine?
2-N-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-phenylpropane-1,2-diamine has a molecular weight of 262.38 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-phenylpropane-1,2-diamine is sourced from PubChem (CID 65277594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).