1-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine

C13H19N3OS2 — CID 81129275

IUPAC1-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1nnc(-c2sccc2OC)s1
InChIInChI=1S/C13H19N3OS2/c1-4-7-14-9(5-2)12-15-16-13(19-12)11-10(17-3)6-8-18-11/h6,8-9,14H,4-5,7H2,1-3H3
InChIKeyJHQQDPUCZFMCOB-UHFFFAOYSA-N
MW297.45 g/mol
LogP3.73
Rot. Bonds7

About 1-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine

1-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine (PubChem CID 81129275) has the molecular formula C13H19N3OS2 and a molecular weight of 297.45 g/mol. Its IUPAC name is 1-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine
PubChem CID81129275
Molecular FormulaC13H19N3OS2
Molecular Weight297.45 g/mol
Exact Mass297.10
IUPAC Name1-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1nnc(-c2sccc2OC)s1
InChIInChI=1S/C13H19N3OS2/c1-4-7-14-9(5-2)12-15-16-13(19-12)11-10(17-3)6-8-18-11/h6,8-9,14H,4-5,7H2,1-3H3
InChIKeyJHQQDPUCZFMCOB-UHFFFAOYSA-N
XLogP3.73
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-propyl-1-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-thiadiazol-2-yl)propan-1-amine
CID 80739697
1-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 81129833
3-[5-[1-(propylamino)propyl]-1,3,4-thiadiazol-2-yl]-1H-pyridin-4-one
CID 136812869
N-[2-cyclopropyl-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 104986393
1-(3-methoxythiophen-2-yl)-N-propylpent-4-yn-1-amine
CID 115859271
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
N-[2-(2-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 81121909
N-[2-(2-bromophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 115787088
3-methoxy-2-(3-methoxythiophen-2-yl)thiophene
CID 10609306
N-[1-(2,6-dimethoxyphenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105015257
N-[2-(2,4-difluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 81122712
1-(3-methoxythiophen-2-yl)propylhydrazine
CID 105281967

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine?
The IUPAC name of 1-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine (CID 81129275) is 1-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine is CCCNC(CC)c1nnc(-c2sccc2OC)s1.
What is the InChIKey of 1-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine?
The InChIKey is JHQQDPUCZFMCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS2/c1-4-7-14-9(5-2)12-15-16-13(19-12)11-10(17-3)6-8-18-11/h6,8-9,14H,4-5,7H2,1-3H3.
What are the key properties of 1-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine?
1-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine has a molecular weight of 297.45 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine is sourced from PubChem (CID 81129275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).