N'-[[5-(ethylamino)thiadiazol-4-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine

C13H27N5S — CID 55046461

IUPACN'-[[5-(ethylamino)thiadiazol-4-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCCNc1snnc1CN(CCN(C)C)CC(C)C
InChIInChI=1S/C13H27N5S/c1-6-14-13-12(15-16-19-13)10-18(9-11(2)3)8-7-17(4)5/h11,14H,6-10H2,1-5H3
InChIKeyYEFPBAHKJDCQMB-UHFFFAOYSA-N
MW285.46 g/mol
LogP1.99
Rot. Bonds9

About N'-[[5-(ethylamino)thiadiazol-4-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine

N'-[[5-(ethylamino)thiadiazol-4-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 55046461) has the molecular formula C13H27N5S and a molecular weight of 285.46 g/mol. Its IUPAC name is N'-[[5-(ethylamino)thiadiazol-4-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[5-(ethylamino)thiadiazol-4-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
PubChem CID55046461
Molecular FormulaC13H27N5S
Molecular Weight285.46 g/mol
Exact Mass285.20
IUPAC NameN'-[[5-(ethylamino)thiadiazol-4-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCCNc1snnc1CN(CCN(C)C)CC(C)C
InChIInChI=1S/C13H27N5S/c1-6-14-13-12(15-16-19-13)10-18(9-11(2)3)8-7-17(4)5/h11,14H,6-10H2,1-5H3
InChIKeyYEFPBAHKJDCQMB-UHFFFAOYSA-N
XLogP1.99
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N'-[[5-(ethylamino)thiadiazol-4-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-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

4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propylthiadiazol-5-amine
CID 55046267
N-ethyl-4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 55046269
N-methyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 55046411
N-ethyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 62182105
N-propyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 62182106
4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-methylthiadiazol-5-amine
CID 62182806
4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethylthiadiazol-5-amine
CID 62182981
4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylthiadiazol-5-amine
CID 62182982
N-methyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 62183147
N-ethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 62183327
N-methyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 62183486
N-ethyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 62183660

Frequently Asked Questions

What is the IUPAC name of N'-[[5-(ethylamino)thiadiazol-4-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-[[5-(ethylamino)thiadiazol-4-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine (CID 55046461) is N'-[[5-(ethylamino)thiadiazol-4-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[[5-(ethylamino)thiadiazol-4-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-[[5-(ethylamino)thiadiazol-4-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine is CCNc1snnc1CN(CCN(C)C)CC(C)C.
What is the InChIKey of N'-[[5-(ethylamino)thiadiazol-4-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is YEFPBAHKJDCQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N5S/c1-6-14-13-12(15-16-19-13)10-18(9-11(2)3)8-7-17(4)5/h11,14H,6-10H2,1-5H3.
What are the key properties of N'-[[5-(ethylamino)thiadiazol-4-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
N'-[[5-(ethylamino)thiadiazol-4-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 285.46 g/mol, XLogP of 1.99, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[5-(ethylamino)thiadiazol-4-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 55046461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).