N-propyl-4-[(4-propylpiperazin-1-yl)methyl]thiadiazol-5-amine

C13H25N5S — CID 62178573

IUPACN-propyl-4-[(4-propylpiperazin-1-yl)methyl]thiadiazol-5-amine
SMILESCCCNc1snnc1CN1CCN(CCC)CC1
InChIInChI=1S/C13H25N5S/c1-3-5-14-13-12(15-16-19-13)11-18-9-7-17(6-4-2)8-10-18/h14H,3-11H2,1-2H3
InChIKeyRCBMBTXFOBMYPM-UHFFFAOYSA-N
MW283.44 g/mol
LogP1.89
Rot. Bonds7

About N-propyl-4-[(4-propylpiperazin-1-yl)methyl]thiadiazol-5-amine

N-propyl-4-[(4-propylpiperazin-1-yl)methyl]thiadiazol-5-amine (PubChem CID 62178573) has the molecular formula C13H25N5S and a molecular weight of 283.44 g/mol. Its IUPAC name is N-propyl-4-[(4-propylpiperazin-1-yl)methyl]thiadiazol-5-amine.

Molecular Properties

Compound NameN-propyl-4-[(4-propylpiperazin-1-yl)methyl]thiadiazol-5-amine
PubChem CID62178573
Molecular FormulaC13H25N5S
Molecular Weight283.44 g/mol
Exact Mass283.18
IUPAC NameN-propyl-4-[(4-propylpiperazin-1-yl)methyl]thiadiazol-5-amine
SMILESCCCNc1snnc1CN1CCN(CCC)CC1
InChIInChI=1S/C13H25N5S/c1-3-5-14-13-12(15-16-19-13)11-18-9-7-17(6-4-2)8-10-18/h14H,3-11H2,1-2H3
InChIKeyRCBMBTXFOBMYPM-UHFFFAOYSA-N
XLogP1.89
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 51.89
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-propyl-4-[(4-propylpiperazin-1-yl)methyl]thiadiazol-5-amine?
The IUPAC name of N-propyl-4-[(4-propylpiperazin-1-yl)methyl]thiadiazol-5-amine (CID 62178573) is N-propyl-4-[(4-propylpiperazin-1-yl)methyl]thiadiazol-5-amine.
What is the SMILES notation for N-propyl-4-[(4-propylpiperazin-1-yl)methyl]thiadiazol-5-amine?
The canonical SMILES for N-propyl-4-[(4-propylpiperazin-1-yl)methyl]thiadiazol-5-amine is CCCNc1snnc1CN1CCN(CCC)CC1.
What is the InChIKey of N-propyl-4-[(4-propylpiperazin-1-yl)methyl]thiadiazol-5-amine?
The InChIKey is RCBMBTXFOBMYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5S/c1-3-5-14-13-12(15-16-19-13)11-18-9-7-17(6-4-2)8-10-18/h14H,3-11H2,1-2H3.
What are the key properties of N-propyl-4-[(4-propylpiperazin-1-yl)methyl]thiadiazol-5-amine?
N-propyl-4-[(4-propylpiperazin-1-yl)methyl]thiadiazol-5-amine has a molecular weight of 283.44 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-[(4-propylpiperazin-1-yl)methyl]thiadiazol-5-amine is sourced from PubChem (CID 62178573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).