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

C12H16N4OS3 — CID 115382764

IUPAC2-(2-methylpropoxy)-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridin-3-amine
SMILESCSc1nnc(Sc2ccc(N)c(OCC(C)C)n2)s1
InChIInChI=1S/C12H16N4OS3/c1-7(2)6-17-10-8(13)4-5-9(14-10)19-12-16-15-11(18-3)20-12/h4-5,7H,6,13H2,1-3H3
InChIKeyBDGKSZXPCDHYFJ-UHFFFAOYSA-N
MW328.49 g/mol
LogP3.42
Rot. Bonds6

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

2-(2-methylpropoxy)-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridin-3-amine (PubChem CID 115382764) has the molecular formula C12H16N4OS3 and a molecular weight of 328.49 g/mol. Its IUPAC name is 2-(2-methylpropoxy)-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridin-3-amine.

Molecular Properties

Compound Name2-(2-methylpropoxy)-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridin-3-amine
PubChem CID115382764
Molecular FormulaC12H16N4OS3
Molecular Weight328.49 g/mol
Exact Mass328.05
IUPAC Name2-(2-methylpropoxy)-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridin-3-amine
SMILESCSc1nnc(Sc2ccc(N)c(OCC(C)C)n2)s1
InChIInChI=1S/C12H16N4OS3/c1-7(2)6-17-10-8(13)4-5-9(14-10)19-12-16-15-11(18-3)20-12/h4-5,7H,6,13H2,1-3H3
InChIKeyBDGKSZXPCDHYFJ-UHFFFAOYSA-N
XLogP3.42
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.49
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-propoxypyridin-3-amine
CID 115382794
6-(4-methoxyphenyl)sulfanyl-2-(2-methylpropoxy)pyridin-3-amine
CID 43262736
2-(2-methylpropoxy)-6-pyrazin-2-ylsulfanylpyridin-3-amine
CID 63537558
6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(2-methylpropoxy)pyridin-3-amine
CID 102924674
6-(3-bromophenyl)sulfanyl-2-(2-methylpropoxy)pyridin-3-amine
CID 63536884
5-[(5-amino-6-propoxy-2-pyridinyl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63738689
6-[(3-methylphenyl)methylsulfanyl]-2-(2-methylpropoxy)pyridin-3-amine
CID 63538558
6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine
CID 115384369
6-(2-methylpropoxy)-2-N-thiophen-3-ylpyridine-2,5-diamine
CID 66351449
2-N-butan-2-yl-2-N-ethyl-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 43274239
6-(2,5-dimethylphenyl)sulfanyl-2-propoxypyridin-3-amine
CID 43262808
6-(2-methylphenyl)sulfanyl-2-propoxypyridin-3-amine
CID 63537893

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridin-3-amine?
The IUPAC name of 2-(2-methylpropoxy)-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridin-3-amine (CID 115382764) is 2-(2-methylpropoxy)-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridin-3-amine.
What is the SMILES notation for 2-(2-methylpropoxy)-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridin-3-amine?
The canonical SMILES for 2-(2-methylpropoxy)-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridin-3-amine is CSc1nnc(Sc2ccc(N)c(OCC(C)C)n2)s1.
What is the InChIKey of 2-(2-methylpropoxy)-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridin-3-amine?
The InChIKey is BDGKSZXPCDHYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS3/c1-7(2)6-17-10-8(13)4-5-9(14-10)19-12-16-15-11(18-3)20-12/h4-5,7H,6,13H2,1-3H3.
What are the key properties of 2-(2-methylpropoxy)-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridin-3-amine?
2-(2-methylpropoxy)-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridin-3-amine has a molecular weight of 328.49 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridin-3-amine is sourced from PubChem (CID 115382764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).