N-propyl-1-(4-propylthiadiazol-5-yl)-3-thiophen-3-ylpropan-1-amine

C15H23N3S2 — CID 105147880

IUPACN-propyl-1-(4-propylthiadiazol-5-yl)-3-thiophen-3-ylpropan-1-amine
SMILESCCCNC(CCc1ccsc1)c1snnc1CCC
InChIInChI=1S/C15H23N3S2/c1-3-5-14-15(20-18-17-14)13(16-9-4-2)7-6-12-8-10-19-11-12/h8,10-11,13,16H,3-7,9H2,1-2H3
InChIKeyROFZTPZBSOBJOW-UHFFFAOYSA-N
MW309.50 g/mol
LogP4.23
Rot. Bonds9

About N-propyl-1-(4-propylthiadiazol-5-yl)-3-thiophen-3-ylpropan-1-amine

N-propyl-1-(4-propylthiadiazol-5-yl)-3-thiophen-3-ylpropan-1-amine (PubChem CID 105147880) has the molecular formula C15H23N3S2 and a molecular weight of 309.50 g/mol. Its IUPAC name is N-propyl-1-(4-propylthiadiazol-5-yl)-3-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound NameN-propyl-1-(4-propylthiadiazol-5-yl)-3-thiophen-3-ylpropan-1-amine
PubChem CID105147880
Molecular FormulaC15H23N3S2
Molecular Weight309.50 g/mol
Exact Mass309.13
IUPAC NameN-propyl-1-(4-propylthiadiazol-5-yl)-3-thiophen-3-ylpropan-1-amine
SMILESCCCNC(CCc1ccsc1)c1snnc1CCC
InChIInChI=1S/C15H23N3S2/c1-3-5-14-15(20-18-17-14)13(16-9-4-2)7-6-12-8-10-19-11-12/h8,10-11,13,16H,3-7,9H2,1-2H3
InChIKeyROFZTPZBSOBJOW-UHFFFAOYSA-N
XLogP4.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methyl-1,3-thiazol-4-yl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 105147754
1-(3,4-dichlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 81491853
N-propyl-3-thiophen-3-yl-1-(2,4,6-trimethylphenyl)propan-1-amine
CID 115857109
1-(3-ethyl-2-pyridinyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 82741172
1-(5-fluoro-2-pyridinyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 79713195
5,5,5-trifluoro-N-propyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine
CID 105174390
1-(2-methylfuran-3-yl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 104790467
N-propyl-3-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105147845
1-(3-chloro-2-pyridinyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 103444845
N-[1-(4-propylthiadiazol-5-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105169199
N-propyl-1-thiophen-3-ylheptan-3-amine
CID 79411760
1-cyclobutyl-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 64986471

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(4-propylthiadiazol-5-yl)-3-thiophen-3-ylpropan-1-amine?
The IUPAC name of N-propyl-1-(4-propylthiadiazol-5-yl)-3-thiophen-3-ylpropan-1-amine (CID 105147880) is N-propyl-1-(4-propylthiadiazol-5-yl)-3-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for N-propyl-1-(4-propylthiadiazol-5-yl)-3-thiophen-3-ylpropan-1-amine?
The canonical SMILES for N-propyl-1-(4-propylthiadiazol-5-yl)-3-thiophen-3-ylpropan-1-amine is CCCNC(CCc1ccsc1)c1snnc1CCC.
What is the InChIKey of N-propyl-1-(4-propylthiadiazol-5-yl)-3-thiophen-3-ylpropan-1-amine?
The InChIKey is ROFZTPZBSOBJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S2/c1-3-5-14-15(20-18-17-14)13(16-9-4-2)7-6-12-8-10-19-11-12/h8,10-11,13,16H,3-7,9H2,1-2H3.
What are the key properties of N-propyl-1-(4-propylthiadiazol-5-yl)-3-thiophen-3-ylpropan-1-amine?
N-propyl-1-(4-propylthiadiazol-5-yl)-3-thiophen-3-ylpropan-1-amine has a molecular weight of 309.50 g/mol, XLogP of 4.23, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-(4-propylthiadiazol-5-yl)-3-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 105147880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).