4-phenyl-N-propyl-1-(thiadiazol-5-yl)butan-1-amine

C15H21N3S — CID 105139842

IUPAC4-phenyl-N-propyl-1-(thiadiazol-5-yl)butan-1-amine
SMILESCCCNC(CCCc1ccccc1)c1cnns1
InChIInChI=1S/C15H21N3S/c1-2-11-16-14(15-12-17-18-19-15)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12,14,16H,2,6,9-11H2,1H3
InChIKeyMOWBZFLHGJPBRF-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.60
Rot. Bonds8

About 4-phenyl-N-propyl-1-(thiadiazol-5-yl)butan-1-amine

4-phenyl-N-propyl-1-(thiadiazol-5-yl)butan-1-amine (PubChem CID 105139842) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 4-phenyl-N-propyl-1-(thiadiazol-5-yl)butan-1-amine.

Molecular Properties

Compound Name4-phenyl-N-propyl-1-(thiadiazol-5-yl)butan-1-amine
PubChem CID105139842
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name4-phenyl-N-propyl-1-(thiadiazol-5-yl)butan-1-amine
SMILESCCCNC(CCCc1ccccc1)c1cnns1
InChIInChI=1S/C15H21N3S/c1-2-11-16-14(15-12-17-18-19-15)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12,14,16H,2,6,9-11H2,1H3
InChIKeyMOWBZFLHGJPBRF-UHFFFAOYSA-N
XLogP3.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-1-(thiadiazol-5-yl)undecan-1-amine
CID 105138198
3-(4-methoxyphenyl)-N-propyl-1-(thiadiazol-5-yl)propan-1-amine
CID 105152291
N-[2-(4-ethylphenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine
CID 105101683
1-(3-chloro-4-pyridinyl)-4-phenyl-N-propylbutan-1-amine
CID 105139865
N-[2-(4-fluorophenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine
CID 105087093
1-(2-fluorophenyl)-4-phenyl-N-propylbutan-1-amine
CID 63417879
1-phenyl-N-propyl-4-pyridin-3-ylbutan-1-amine
CID 104737019
3-phenyl-N-propyl-1-thiophen-2-ylpropan-1-amine
CID 43495958
1-(4-bromothiophen-3-yl)-4-phenyl-N-propylbutan-1-amine
CID 105166680
3-(2,3-dihydro-1-benzofuran-5-yl)-N-propyl-1-(thiadiazol-5-yl)propan-1-amine
CID 105152125
1-(3-chloro-4-methylthiophen-2-yl)-4-phenyl-N-propylbutan-1-amine
CID 103405798
4-(4-chlorophenyl)-1-phenyl-N-propylbutan-1-amine
CID 64502036

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-propyl-1-(thiadiazol-5-yl)butan-1-amine?
The IUPAC name of 4-phenyl-N-propyl-1-(thiadiazol-5-yl)butan-1-amine (CID 105139842) is 4-phenyl-N-propyl-1-(thiadiazol-5-yl)butan-1-amine.
What is the SMILES notation for 4-phenyl-N-propyl-1-(thiadiazol-5-yl)butan-1-amine?
The canonical SMILES for 4-phenyl-N-propyl-1-(thiadiazol-5-yl)butan-1-amine is CCCNC(CCCc1ccccc1)c1cnns1.
What is the InChIKey of 4-phenyl-N-propyl-1-(thiadiazol-5-yl)butan-1-amine?
The InChIKey is MOWBZFLHGJPBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-2-11-16-14(15-12-17-18-19-15)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12,14,16H,2,6,9-11H2,1H3.
What are the key properties of 4-phenyl-N-propyl-1-(thiadiazol-5-yl)butan-1-amine?
4-phenyl-N-propyl-1-(thiadiazol-5-yl)butan-1-amine has a molecular weight of 275.42 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-propyl-1-(thiadiazol-5-yl)butan-1-amine is sourced from PubChem (CID 105139842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).