6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-propoxypyridin-3-amine

C11H14N4OS3 — CID 115382794

IUPAC6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-propoxypyridin-3-amine
SMILESCCCOc1nc(Sc2nnc(SC)s2)ccc1N
InChIInChI=1S/C11H14N4OS3/c1-3-6-16-9-7(12)4-5-8(13-9)18-11-15-14-10(17-2)19-11/h4-5H,3,6,12H2,1-2H3
InChIKeyLKHGLCXVXNFGOK-UHFFFAOYSA-N
MW314.46 g/mol
LogP3.18
Rot. Bonds6

About 6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-propoxypyridin-3-amine

6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-propoxypyridin-3-amine (PubChem CID 115382794) has the molecular formula C11H14N4OS3 and a molecular weight of 314.46 g/mol. Its IUPAC name is 6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-propoxypyridin-3-amine.

Molecular Properties

Compound Name6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-propoxypyridin-3-amine
PubChem CID115382794
Molecular FormulaC11H14N4OS3
Molecular Weight314.46 g/mol
Exact Mass314.03
IUPAC Name6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-propoxypyridin-3-amine
SMILESCCCOc1nc(Sc2nnc(SC)s2)ccc1N
InChIInChI=1S/C11H14N4OS3/c1-3-6-16-9-7(12)4-5-8(13-9)18-11-15-14-10(17-2)19-11/h4-5H,3,6,12H2,1-2H3
InChIKeyLKHGLCXVXNFGOK-UHFFFAOYSA-N
XLogP3.18
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-[(5-amino-6-propoxy-2-pyridinyl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63738689
2-(2-methylpropoxy)-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridin-3-amine
CID 115382764
6-(2,5-dimethylphenyl)sulfanyl-2-propoxypyridin-3-amine
CID 43262808
6-(2-methylphenyl)sulfanyl-2-propoxypyridin-3-amine
CID 63537893
2-propoxy-6-thiophen-2-ylsulfanylpyridin-3-amine
CID 43262850
6-(2-methoxyphenyl)sulfanyl-2-propoxypyridin-3-amine
CID 61296899
6-methoxy-2-propoxypyridin-3-amine
CID 43261942
N-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-amine
CID 115384338
N-[[6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-pyridinyl]methyl]propan-1-amine
CID 115383866
4-ethoxy-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-5-amine
CID 115382776
2-ethoxy-6-thiophen-2-ylsulfanylpyridin-3-amine
CID 43262852
6-propoxy-2-N-thiophen-3-ylpyridine-2,5-diamine
CID 66351232

Frequently Asked Questions

What is the IUPAC name of 6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-propoxypyridin-3-amine?
The IUPAC name of 6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-propoxypyridin-3-amine (CID 115382794) is 6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-propoxypyridin-3-amine.
What is the SMILES notation for 6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-propoxypyridin-3-amine?
The canonical SMILES for 6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-propoxypyridin-3-amine is CCCOc1nc(Sc2nnc(SC)s2)ccc1N.
What is the InChIKey of 6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-propoxypyridin-3-amine?
The InChIKey is LKHGLCXVXNFGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS3/c1-3-6-16-9-7(12)4-5-8(13-9)18-11-15-14-10(17-2)19-11/h4-5H,3,6,12H2,1-2H3.
What are the key properties of 6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-propoxypyridin-3-amine?
6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-propoxypyridin-3-amine has a molecular weight of 314.46 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-propoxypyridin-3-amine is sourced from PubChem (CID 115382794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).