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

C13H17N3S2 — CID 112678616

IUPACN-methyl-1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]propan-1-amine
SMILESCCC(NC)c1ccccc1Sc1nnc(C)s1
InChIInChI=1S/C13H17N3S2/c1-4-11(14-3)10-7-5-6-8-12(10)18-13-16-15-9(2)17-13/h5-8,11,14H,4H2,1-3H3
InChIKeyNPAKWWKNYPPJLZ-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.67
Rot. Bonds5

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

N-methyl-1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]propan-1-amine (PubChem CID 112678616) has the molecular formula C13H17N3S2 and a molecular weight of 279.43 g/mol. Its IUPAC name is N-methyl-1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]propan-1-amine
PubChem CID112678616
Molecular FormulaC13H17N3S2
Molecular Weight279.43 g/mol
Exact Mass279.09
IUPAC NameN-methyl-1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]propan-1-amine
SMILESCCC(NC)c1ccccc1Sc1nnc(C)s1
InChIInChI=1S/C13H17N3S2/c1-4-11(14-3)10-7-5-6-8-12(10)18-13-16-15-9(2)17-13/h5-8,11,14H,4H2,1-3H3
InChIKeyNPAKWWKNYPPJLZ-UHFFFAOYSA-N
XLogP3.67
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-chlorophenyl)sulfanylphenyl]-N-methylpropan-1-amine
CID 112678556
1-[2-(2,5-dimethylphenyl)sulfanylphenyl]-N-methylpropan-1-amine
CID 115995797
(1S)-1-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]propan-1-amine
CID 103959625
N-methyl-1-[2-(1-methylimidazol-2-yl)sulfanylphenyl]propan-1-amine
CID 112678538
1-[2-(2,4-difluorophenyl)sulfanylphenyl]-N-methylpropan-1-amine
CID 115995811
N-methyl-1-(4-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
CID 64648111
1-[2-(1H-imidazol-2-ylsulfanyl)phenyl]-N-methylpropan-1-amine
CID 107780626
1-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]-N-propylpropan-1-amine
CID 115995903
N-methyl-1-[5-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine
CID 114055412
1-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-N-propylpropan-1-amine
CID 115995796
2-[1-(methylamino)propyl]phenol
CID 12862798
2-[5-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanamine
CID 114057623

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]propan-1-amine?
The IUPAC name of N-methyl-1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]propan-1-amine (CID 112678616) is N-methyl-1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]propan-1-amine.
What is the SMILES notation for N-methyl-1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]propan-1-amine?
The canonical SMILES for N-methyl-1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]propan-1-amine is CCC(NC)c1ccccc1Sc1nnc(C)s1.
What is the InChIKey of N-methyl-1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]propan-1-amine?
The InChIKey is NPAKWWKNYPPJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S2/c1-4-11(14-3)10-7-5-6-8-12(10)18-13-16-15-9(2)17-13/h5-8,11,14H,4H2,1-3H3.
What are the key properties of N-methyl-1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]propan-1-amine?
N-methyl-1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]propan-1-amine has a molecular weight of 279.43 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]propan-1-amine is sourced from PubChem (CID 112678616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).