N-[1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)-3-pyridinyl]ethyl]propan-1-amine

C12H16N4S2 — CID 114056820

IUPACN-[1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)-3-pyridinyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cccnc1Sc1nncs1
InChIInChI=1S/C12H16N4S2/c1-3-6-13-9(2)10-5-4-7-14-11(10)18-12-16-15-8-17-12/h4-5,7-9,13H,3,6H2,1-2H3
InChIKeySQJOFKAKOHCIKY-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.14
Rot. Bonds6

About N-[1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)-3-pyridinyl]ethyl]propan-1-amine

N-[1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)-3-pyridinyl]ethyl]propan-1-amine (PubChem CID 114056820) has the molecular formula C12H16N4S2 and a molecular weight of 280.42 g/mol. Its IUPAC name is N-[1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)-3-pyridinyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)-3-pyridinyl]ethyl]propan-1-amine
PubChem CID114056820
Molecular FormulaC12H16N4S2
Molecular Weight280.42 g/mol
Exact Mass280.08
IUPAC NameN-[1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)-3-pyridinyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cccnc1Sc1nncs1
InChIInChI=1S/C12H16N4S2/c1-3-6-13-9(2)10-5-4-7-14-11(10)18-12-16-15-8-17-12/h4-5,7-9,13H,3,6H2,1-2H3
InChIKeySQJOFKAKOHCIKY-UHFFFAOYSA-N
XLogP3.14
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-propyl-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine
CID 55076591
N-[1-(2-pyridin-2-ylsulfanylphenyl)ethyl]propan-1-amine
CID 43286336
1-[4-bromo-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-N-ethylethanamine
CID 82976134
N-propyl-1-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-amine
CID 64648403
1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanol
CID 63814151
2-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole
CID 106878213
(1R)-1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]propan-1-ol
CID 103960736
N-[1-(2-pyridin-2-ylphenyl)ethyl]propan-1-amine
CID 63679644
(1R)-1-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-pyridinyl]ethanol
CID 114057189
N-[1-(2-phenylsulfanylphenyl)ethyl]propan-1-amine
CID 43286135
1-[methyl-[3-[1-(propylamino)ethyl]-2-pyridinyl]amino]propan-2-ol
CID 114056115
N-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]propan-1-amine
CID 115704290

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)-3-pyridinyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)-3-pyridinyl]ethyl]propan-1-amine (CID 114056820) is N-[1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)-3-pyridinyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)-3-pyridinyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)-3-pyridinyl]ethyl]propan-1-amine is CCCNC(C)c1cccnc1Sc1nncs1.
What is the InChIKey of N-[1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)-3-pyridinyl]ethyl]propan-1-amine?
The InChIKey is SQJOFKAKOHCIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S2/c1-3-6-13-9(2)10-5-4-7-14-11(10)18-12-16-15-8-17-12/h4-5,7-9,13H,3,6H2,1-2H3.
What are the key properties of N-[1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)-3-pyridinyl]ethyl]propan-1-amine?
N-[1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)-3-pyridinyl]ethyl]propan-1-amine has a molecular weight of 280.42 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)-3-pyridinyl]ethyl]propan-1-amine is sourced from PubChem (CID 114056820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).