2-[5-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-pyridinyl]ethanamine

C11H14N4OS — CID 80650627

IUPAC2-[5-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-pyridinyl]ethanamine
SMILESCc1nnc(Sc2ncc(CCN)cc2C)o1
InChIInChI=1S/C11H14N4OS/c1-7-5-9(3-4-12)6-13-10(7)17-11-15-14-8(2)16-11/h5-6H,3-4,12H2,1-2H3
InChIKeyTXZPZQPMSDQOGY-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.73
Rot. Bonds4

About 2-[5-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-pyridinyl]ethanamine

2-[5-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-pyridinyl]ethanamine (PubChem CID 80650627) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 2-[5-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-[5-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-pyridinyl]ethanamine
PubChem CID80650627
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name2-[5-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-pyridinyl]ethanamine
SMILESCc1nnc(Sc2ncc(CCN)cc2C)o1
InChIInChI=1S/C11H14N4OS/c1-7-5-9(3-4-12)6-13-10(7)17-11-15-14-8(2)16-11/h5-6H,3-4,12H2,1-2H3
InChIKeyTXZPZQPMSDQOGY-UHFFFAOYSA-N
XLogP1.73
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-pyridinyl]ethanamine with MolForge

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Launch Full Analysis

Related Compounds

2-[6-(3-bromophenyl)sulfanyl-5-methyl-3-pyridinyl]ethanamine
CID 80651307
5-[[5-(2-aminoethyl)-3-methyl-2-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 80650537
2-[6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methyl-3-pyridinyl]ethanamine
CID 80651706
2-[5-methyl-6-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)-3-pyridinyl]ethanamine
CID 80640191
2-[(2-chloro-5-methyl-4-pyridinyl)sulfanyl]-5-methyl-1,3,4-oxadiazole
CID 83267619
N-methyl-1-[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methanamine
CID 63807547
[5-methyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-pyridinyl]methanamine
CID 80639950
[6-(3,4-difluorophenyl)sulfanyl-5-methyl-3-pyridinyl]methanamine
CID 80640130
[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-3-yl]methanamine
CID 63809665
N-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-5-yl]methyl]cyclopropanamine
CID 113388685
N-[[5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methyl]ethanamine
CID 106926520
2-methyl-N-[[5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methyl]propan-2-amine
CID 106926551

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-pyridinyl]ethanamine?
The IUPAC name of 2-[5-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-pyridinyl]ethanamine (CID 80650627) is 2-[5-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-pyridinyl]ethanamine.
What is the SMILES notation for 2-[5-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-pyridinyl]ethanamine?
The canonical SMILES for 2-[5-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-pyridinyl]ethanamine is Cc1nnc(Sc2ncc(CCN)cc2C)o1.
What is the InChIKey of 2-[5-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-pyridinyl]ethanamine?
The InChIKey is TXZPZQPMSDQOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-7-5-9(3-4-12)6-13-10(7)17-11-15-14-8(2)16-11/h5-6H,3-4,12H2,1-2H3.
What are the key properties of 2-[5-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-pyridinyl]ethanamine?
2-[5-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-pyridinyl]ethanamine has a molecular weight of 250.33 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-pyridinyl]ethanamine is sourced from PubChem (CID 80650627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).