3-(4-methoxyphenyl)-N-propyl-1-(thiadiazol-5-yl)propan-1-amine

C15H21N3OS — CID 105152291

IUPAC3-(4-methoxyphenyl)-N-propyl-1-(thiadiazol-5-yl)propan-1-amine
SMILESCCCNC(CCc1ccc(OC)cc1)c1cnns1
InChIInChI=1S/C15H21N3OS/c1-3-10-16-14(15-11-17-18-20-15)9-6-12-4-7-13(19-2)8-5-12/h4-5,7-8,11,14,16H,3,6,9-10H2,1-2H3
InChIKeyLNLDSYDOZQRNQG-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.22
Rot. Bonds8

About 3-(4-methoxyphenyl)-N-propyl-1-(thiadiazol-5-yl)propan-1-amine

3-(4-methoxyphenyl)-N-propyl-1-(thiadiazol-5-yl)propan-1-amine (PubChem CID 105152291) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-propyl-1-(thiadiazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-propyl-1-(thiadiazol-5-yl)propan-1-amine
PubChem CID105152291
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name3-(4-methoxyphenyl)-N-propyl-1-(thiadiazol-5-yl)propan-1-amine
SMILESCCCNC(CCc1ccc(OC)cc1)c1cnns1
InChIInChI=1S/C15H21N3OS/c1-3-10-16-14(15-11-17-18-20-15)9-6-12-4-7-13(19-2)8-5-12/h4-5,7-8,11,14,16H,3,6,9-10H2,1-2H3
InChIKeyLNLDSYDOZQRNQG-UHFFFAOYSA-N
XLogP3.22
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-phenyl-N-propyl-1-(thiadiazol-5-yl)butan-1-amine
CID 105139842
N-[2-(4-ethylphenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine
CID 105101683
3-(2,3-dihydro-1-benzofuran-5-yl)-N-propyl-1-(thiadiazol-5-yl)propan-1-amine
CID 105152125
N-propyl-1-(thiadiazol-5-yl)undecan-1-amine
CID 105138198
N-[2-(4-fluorophenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine
CID 105087093
N-[2-(2-fluoro-3-methoxyphenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine
CID 105180640
1-(4-methoxyphenyl)-5-methyl-N-propyloctan-3-amine
CID 115845424
N-[2-(3-bromo-4-fluorophenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine
CID 105111613
4-methoxy-1-(4-methoxyphenyl)-N-propylpentan-3-amine
CID 79615993
1-(5-methoxy-3-pyridinyl)-N-propyl-3-pyridin-4-ylpropan-1-amine
CID 105175318
6,6,6-trifluoro-1-(4-methoxyphenyl)-N-propylhexan-3-amine
CID 79959286
N-[(3-methoxypyrazin-2-yl)-(thiadiazol-5-yl)methyl]propan-1-amine
CID 105178702

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-propyl-1-(thiadiazol-5-yl)propan-1-amine?
The IUPAC name of 3-(4-methoxyphenyl)-N-propyl-1-(thiadiazol-5-yl)propan-1-amine (CID 105152291) is 3-(4-methoxyphenyl)-N-propyl-1-(thiadiazol-5-yl)propan-1-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-propyl-1-(thiadiazol-5-yl)propan-1-amine?
The canonical SMILES for 3-(4-methoxyphenyl)-N-propyl-1-(thiadiazol-5-yl)propan-1-amine is CCCNC(CCc1ccc(OC)cc1)c1cnns1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-propyl-1-(thiadiazol-5-yl)propan-1-amine?
The InChIKey is LNLDSYDOZQRNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-3-10-16-14(15-11-17-18-20-15)9-6-12-4-7-13(19-2)8-5-12/h4-5,7-8,11,14,16H,3,6,9-10H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-N-propyl-1-(thiadiazol-5-yl)propan-1-amine?
3-(4-methoxyphenyl)-N-propyl-1-(thiadiazol-5-yl)propan-1-amine has a molecular weight of 291.42 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-propyl-1-(thiadiazol-5-yl)propan-1-amine is sourced from PubChem (CID 105152291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).