4-[[2-methylpropyl(propan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine

C13H26N4S — CID 55046713

IUPAC4-[[2-methylpropyl(propan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN(CC(C)C)C(C)C
InChIInChI=1S/C13H26N4S/c1-6-7-14-13-12(15-16-18-13)9-17(11(4)5)8-10(2)3/h10-11,14H,6-9H2,1-5H3
InChIKeySDZHWNYASVPAMH-UHFFFAOYSA-N
MW270.45 g/mol
LogP3.23
Rot. Bonds8

About 4-[[2-methylpropyl(propan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine

4-[[2-methylpropyl(propan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine (PubChem CID 55046713) has the molecular formula C13H26N4S and a molecular weight of 270.45 g/mol. Its IUPAC name is 4-[[2-methylpropyl(propan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[[2-methylpropyl(propan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine
PubChem CID55046713
Molecular FormulaC13H26N4S
Molecular Weight270.45 g/mol
Exact Mass270.19
IUPAC Name4-[[2-methylpropyl(propan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN(CC(C)C)C(C)C
InChIInChI=1S/C13H26N4S/c1-6-7-14-13-12(15-16-18-13)9-17(11(4)5)8-10(2)3/h10-11,14H,6-9H2,1-5H3
InChIKeySDZHWNYASVPAMH-UHFFFAOYSA-N
XLogP3.23
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.45
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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 4-[[2-methylpropyl(propan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine?
The IUPAC name of 4-[[2-methylpropyl(propan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine (CID 55046713) is 4-[[2-methylpropyl(propan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine.
What is the SMILES notation for 4-[[2-methylpropyl(propan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine?
The canonical SMILES for 4-[[2-methylpropyl(propan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine is CCCNc1snnc1CN(CC(C)C)C(C)C.
What is the InChIKey of 4-[[2-methylpropyl(propan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine?
The InChIKey is SDZHWNYASVPAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4S/c1-6-7-14-13-12(15-16-18-13)9-17(11(4)5)8-10(2)3/h10-11,14H,6-9H2,1-5H3.
What are the key properties of 4-[[2-methylpropyl(propan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine?
4-[[2-methylpropyl(propan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine has a molecular weight of 270.45 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methylpropyl(propan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine is sourced from PubChem (CID 55046713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).