1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-2-amine

C10H13N3OS2 — CID 66218968

IUPAC1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-2-amine
SMILESCC(N)CSCc1nnc(-c2cccs2)o1
InChIInChI=1S/C10H13N3OS2/c1-7(11)5-15-6-9-12-13-10(14-9)8-3-2-4-16-8/h2-4,7H,5-6,11H2,1H3
InChIKeyACJBNRYJFTUPTF-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.38
Rot. Bonds5

About 1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-2-amine

1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-2-amine (PubChem CID 66218968) has the molecular formula C10H13N3OS2 and a molecular weight of 255.37 g/mol. Its IUPAC name is 1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-2-amine.

Molecular Properties

Compound Name1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-2-amine
PubChem CID66218968
Molecular FormulaC10H13N3OS2
Molecular Weight255.37 g/mol
Exact Mass255.05
IUPAC Name1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-2-amine
SMILESCC(N)CSCc1nnc(-c2cccs2)o1
InChIInChI=1S/C10H13N3OS2/c1-7(11)5-15-6-9-12-13-10(14-9)8-3-2-4-16-8/h2-4,7H,5-6,11H2,1H3
InChIKeyACJBNRYJFTUPTF-UHFFFAOYSA-N
XLogP2.38
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propanoic acid
CID 43385486
2-methyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propanoic acid
CID 64915706
methyl (2R)-2-methyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propanoate
CID 96504797
3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-ol
CID 66126795
2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidine-4,6-diamine
CID 4786816
1-(thiophen-2-ylmethylsulfanyl)propan-2-amine
CID 66217000
(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methanol
CID 43558918
2-(methoxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole
CID 53017470
N-methyl-1-thiophen-2-yl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 78827467
3-fluoro-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]aniline
CID 43303654
2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]benzoic acid
CID 43092573
3-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-2-methylpropan-1-amine
CID 66225672

Frequently Asked Questions

What is the IUPAC name of 1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-2-amine?
The IUPAC name of 1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-2-amine (CID 66218968) is 1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-2-amine.
What is the SMILES notation for 1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-2-amine?
The canonical SMILES for 1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-2-amine is CC(N)CSCc1nnc(-c2cccs2)o1.
What is the InChIKey of 1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-2-amine?
The InChIKey is ACJBNRYJFTUPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS2/c1-7(11)5-15-6-9-12-13-10(14-9)8-3-2-4-16-8/h2-4,7H,5-6,11H2,1H3.
What are the key properties of 1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-2-amine?
1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-2-amine has a molecular weight of 255.37 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-2-amine is sourced from PubChem (CID 66218968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).