N-propyl-1-[5-(thiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine

C10H15N5OS — CID 65215061

IUPACN-propyl-1-[5-(thiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCCCNC(CC)c1nnc(-c2cnns2)o1
InChIInChI=1S/C10H15N5OS/c1-3-5-11-7(4-2)9-13-14-10(16-9)8-6-12-15-17-8/h6-7,11H,3-5H2,1-2H3
InChIKeyZGNXLDKMDMQZEL-UHFFFAOYSA-N
MW253.33 g/mol
LogP2.04
Rot. Bonds6

About N-propyl-1-[5-(thiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine

N-propyl-1-[5-(thiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine (PubChem CID 65215061) has the molecular formula C10H15N5OS and a molecular weight of 253.33 g/mol. Its IUPAC name is N-propyl-1-[5-(thiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound NameN-propyl-1-[5-(thiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
PubChem CID65215061
Molecular FormulaC10H15N5OS
Molecular Weight253.33 g/mol
Exact Mass253.10
IUPAC NameN-propyl-1-[5-(thiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCCCNC(CC)c1nnc(-c2cnns2)o1
InChIInChI=1S/C10H15N5OS/c1-3-5-11-7(4-2)9-13-14-10(16-9)8-6-12-15-17-8/h6-7,11H,3-5H2,1-2H3
InChIKeyZGNXLDKMDMQZEL-UHFFFAOYSA-N
XLogP2.04
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 65199096
1-[5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 107981062
N-propyl-1-[5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62857122
1-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62859470
1-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62859130
1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62857467
N-propyl-1-[5-(3,4,5-trifluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 63190079
1-[5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 63048632
1-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 55124213
N-propyl-3-[5-(thiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 65215590
1-[5-(5-bromo-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62857466
1-[5-(3-bromo-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 107952684

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-[5-(thiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The IUPAC name of N-propyl-1-[5-(thiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine (CID 65215061) is N-propyl-1-[5-(thiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine.
What is the SMILES notation for N-propyl-1-[5-(thiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The canonical SMILES for N-propyl-1-[5-(thiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine is CCCNC(CC)c1nnc(-c2cnns2)o1.
What is the InChIKey of N-propyl-1-[5-(thiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The InChIKey is ZGNXLDKMDMQZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5OS/c1-3-5-11-7(4-2)9-13-14-10(16-9)8-6-12-15-17-8/h6-7,11H,3-5H2,1-2H3.
What are the key properties of N-propyl-1-[5-(thiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
N-propyl-1-[5-(thiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine has a molecular weight of 253.33 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-[5-(thiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 65215061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).