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

C15H21N3S2 — CID 115995903

IUPAC1-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccccc1Sc1nc(C)ns1
InChIInChI=1S/C15H21N3S2/c1-4-10-16-13(5-2)12-8-6-7-9-14(12)19-15-17-11(3)18-20-15/h6-9,13,16H,4-5,10H2,1-3H3
InChIKeyHFDYZLPXQYQBRQ-UHFFFAOYSA-N
MW307.49 g/mol
LogP4.45
Rot. Bonds7

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

1-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]-N-propylpropan-1-amine (PubChem CID 115995903) has the molecular formula C15H21N3S2 and a molecular weight of 307.49 g/mol. Its IUPAC name is 1-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]-N-propylpropan-1-amine
PubChem CID115995903
Molecular FormulaC15H21N3S2
Molecular Weight307.49 g/mol
Exact Mass307.12
IUPAC Name1-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccccc1Sc1nc(C)ns1
InChIInChI=1S/C15H21N3S2/c1-4-10-16-13(5-2)12-8-6-7-9-14(12)19-15-17-11(3)18-20-15/h6-9,13,16H,4-5,10H2,1-3H3
InChIKeyHFDYZLPXQYQBRQ-UHFFFAOYSA-N
XLogP4.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.49
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]-N-propylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-N-propylpropan-1-amine
CID 115995796
1-(2-butylsulfanylphenyl)-N-propylpropan-1-amine
CID 112678605
N-propyl-1-[2-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]propan-1-amine
CID 112678548
2-[2-[1-(propylamino)propyl]phenyl]sulfanyl-1H-pyrimidin-6-one
CID 115995801
1-[2-(3-methylbutylsulfanyl)phenyl]-N-propylpropan-1-amine
CID 107750878
3-[2-[1-(propylamino)propyl]phenyl]sulfanylpropan-1-ol
CID 112678712
N-methyl-1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]propan-1-amine
CID 112678616
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
N-[1-[2-(2-methylphenyl)sulfanylphenyl]ethyl]propan-1-amine
CID 63531998
1-[2-(4-methylpyrazol-1-yl)phenyl]-N-propylpropan-1-amine
CID 112678315
1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-propylpropan-1-amine
CID 60882283
N-[1-(2-phenylsulfanylphenyl)ethyl]propan-1-amine
CID 43286135

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]-N-propylpropan-1-amine?
The IUPAC name of 1-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]-N-propylpropan-1-amine (CID 115995903) is 1-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]-N-propylpropan-1-amine is CCCNC(CC)c1ccccc1Sc1nc(C)ns1.
What is the InChIKey of 1-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]-N-propylpropan-1-amine?
The InChIKey is HFDYZLPXQYQBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S2/c1-4-10-16-13(5-2)12-8-6-7-9-14(12)19-15-17-11(3)18-20-15/h6-9,13,16H,4-5,10H2,1-3H3.
What are the key properties of 1-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]-N-propylpropan-1-amine?
1-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]-N-propylpropan-1-amine has a molecular weight of 307.49 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]-N-propylpropan-1-amine is sourced from PubChem (CID 115995903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).