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

C13H27N5S — CID 55046324

IUPACN,N-dimethyl-N'-propyl-N'-[[5-(propylamino)thiadiazol-4-yl]methyl]ethane-1,2-diamine
SMILESCCCNc1snnc1CN(CCC)CCN(C)C
InChIInChI=1S/C13H27N5S/c1-5-7-14-13-12(15-16-19-13)11-18(8-6-2)10-9-17(3)4/h14H,5-11H2,1-4H3
InChIKeyKQRYULCCFCMREF-UHFFFAOYSA-N
MW285.46 g/mol
LogP2.13
Rot. Bonds10

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

N,N-dimethyl-N'-propyl-N'-[[5-(propylamino)thiadiazol-4-yl]methyl]ethane-1,2-diamine (PubChem CID 55046324) has the molecular formula C13H27N5S and a molecular weight of 285.46 g/mol. Its IUPAC name is N,N-dimethyl-N'-propyl-N'-[[5-(propylamino)thiadiazol-4-yl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-propyl-N'-[[5-(propylamino)thiadiazol-4-yl]methyl]ethane-1,2-diamine
PubChem CID55046324
Molecular FormulaC13H27N5S
Molecular Weight285.46 g/mol
Exact Mass285.20
IUPAC NameN,N-dimethyl-N'-propyl-N'-[[5-(propylamino)thiadiazol-4-yl]methyl]ethane-1,2-diamine
SMILESCCCNc1snnc1CN(CCC)CCN(C)C
InChIInChI=1S/C13H27N5S/c1-5-7-14-13-12(15-16-19-13)11-18(8-6-2)10-9-17(3)4/h14H,5-11H2,1-4H3
InChIKeyKQRYULCCFCMREF-UHFFFAOYSA-N
XLogP2.13
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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,N-dimethyl-N'-propyl-N'-[[5-(propylamino)thiadiazol-4-yl]methyl]ethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-N'-propyl-N'-[[5-(propylamino)thiadiazol-4-yl]methyl]ethane-1,2-diamine (CID 55046324) is N,N-dimethyl-N'-propyl-N'-[[5-(propylamino)thiadiazol-4-yl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-N'-propyl-N'-[[5-(propylamino)thiadiazol-4-yl]methyl]ethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-N'-propyl-N'-[[5-(propylamino)thiadiazol-4-yl]methyl]ethane-1,2-diamine is CCCNc1snnc1CN(CCC)CCN(C)C.
What is the InChIKey of N,N-dimethyl-N'-propyl-N'-[[5-(propylamino)thiadiazol-4-yl]methyl]ethane-1,2-diamine?
The InChIKey is KQRYULCCFCMREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N5S/c1-5-7-14-13-12(15-16-19-13)11-18(8-6-2)10-9-17(3)4/h14H,5-11H2,1-4H3.
What are the key properties of N,N-dimethyl-N'-propyl-N'-[[5-(propylamino)thiadiazol-4-yl]methyl]ethane-1,2-diamine?
N,N-dimethyl-N'-propyl-N'-[[5-(propylamino)thiadiazol-4-yl]methyl]ethane-1,2-diamine has a molecular weight of 285.46 g/mol, XLogP of 2.13, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-propyl-N'-[[5-(propylamino)thiadiazol-4-yl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 55046324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).