1-[5-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-3-pyridinyl]propan-2-amine

C11H14N4S2 — CID 80650535

IUPAC1-[5-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-3-pyridinyl]propan-2-amine
SMILESCc1cc(CC(C)N)cnc1Sc1nncs1
InChIInChI=1S/C11H14N4S2/c1-7-3-9(4-8(2)12)5-13-10(7)17-11-15-14-6-16-11/h3,5-6,8H,4,12H2,1-2H3
InChIKeyVOOAKYPRWWKDFK-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.28
Rot. Bonds4

About 1-[5-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-3-pyridinyl]propan-2-amine

1-[5-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-3-pyridinyl]propan-2-amine (PubChem CID 80650535) has the molecular formula C11H14N4S2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-[5-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-3-pyridinyl]propan-2-amine.

Molecular Properties

Compound Name1-[5-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-3-pyridinyl]propan-2-amine
PubChem CID80650535
Molecular FormulaC11H14N4S2
Molecular Weight266.39 g/mol
Exact Mass266.07
IUPAC Name1-[5-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-3-pyridinyl]propan-2-amine
SMILESCc1cc(CC(C)N)cnc1Sc1nncs1
InChIInChI=1S/C11H14N4S2/c1-7-3-9(4-8(2)12)5-13-10(7)17-11-15-14-6-16-11/h3,5-6,8H,4,12H2,1-2H3
InChIKeyVOOAKYPRWWKDFK-UHFFFAOYSA-N
XLogP2.28
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-methyl-6-(2-methylpropylsulfanyl)-3-pyridinyl]propan-2-amine
CID 80650884
1-[5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-pyridinyl]butan-2-amine
CID 80650887
[5-methyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-pyridinyl]methanamine
CID 80639950
5-bromo-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyridin-3-amine
CID 79535681
[4,6-dimethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)-3-pyridinyl]methanamine
CID 61176139
4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-amine
CID 64650373
2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole
CID 79733730
2-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole
CID 106878213
[5-methyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-pyridinyl]methanol
CID 80651358
1-[5-methyl-6-(4-methylpyrazol-1-yl)-3-pyridinyl]propan-2-amine
CID 80634551
2-[(5-bromo-3-chloro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole
CID 103583817
N-[[3-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methyl]cyclopropanamine
CID 55240384

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-3-pyridinyl]propan-2-amine?
The IUPAC name of 1-[5-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-3-pyridinyl]propan-2-amine (CID 80650535) is 1-[5-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-3-pyridinyl]propan-2-amine.
What is the SMILES notation for 1-[5-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-3-pyridinyl]propan-2-amine?
The canonical SMILES for 1-[5-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-3-pyridinyl]propan-2-amine is Cc1cc(CC(C)N)cnc1Sc1nncs1.
What is the InChIKey of 1-[5-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-3-pyridinyl]propan-2-amine?
The InChIKey is VOOAKYPRWWKDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S2/c1-7-3-9(4-8(2)12)5-13-10(7)17-11-15-14-6-16-11/h3,5-6,8H,4,12H2,1-2H3.
What are the key properties of 1-[5-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-3-pyridinyl]propan-2-amine?
1-[5-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-3-pyridinyl]propan-2-amine has a molecular weight of 266.39 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-3-pyridinyl]propan-2-amine is sourced from PubChem (CID 80650535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).