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

C7H13N3OS — CID 66220356

IUPAC2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-amine
SMILESCc1nnc(CSC(C)CN)o1
InChIInChI=1S/C7H13N3OS/c1-5(3-8)12-4-7-10-9-6(2)11-7/h5H,3-4,8H2,1-2H3
InChIKeyOJCONVOIFYKZPR-UHFFFAOYSA-N
MW187.27 g/mol
LogP0.96
Rot. Bonds4

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

2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-amine (PubChem CID 66220356) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-amine.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-amine
PubChem CID66220356
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC Name2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-amine
SMILESCc1nnc(CSC(C)CN)o1
InChIInChI=1S/C7H13N3OS/c1-5(3-8)12-4-7-10-9-6(2)11-7/h5H,3-4,8H2,1-2H3
InChIKeyOJCONVOIFYKZPR-UHFFFAOYSA-N
XLogP0.96
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,4,4-Trifluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-1-amine
CID 62253286
3,3,3-Trifluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine
CID 62254880
2-[(2-Methyl-1,3,4-oxadiazol-5-yl)methylthio]ethylamine
CID 15592303
2-Methyl-5-(methylsulfanylmethyl)-1,3,4-oxadiazole
CID 57594770
Trimethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-lambda4-sulfane
CID 163787215
2-(5-Ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine
CID 931807
2-(5-Propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine
CID 935797
2-(5-Propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)ethylazanium
CID 7808856
2-(5-Ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethylazanium
CID 7826989
(5-Propylsulfanyl-1,3,4-oxadiazol-2-yl)methylazanium
CID 9170641
(5-Propylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine
CID 9170642
(5-Propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)methylazanium
CID 9170648

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-amine?
The IUPAC name of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-amine (CID 66220356) is 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-amine.
What is the SMILES notation for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-amine?
The canonical SMILES for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-amine is Cc1nnc(CSC(C)CN)o1.
What is the InChIKey of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-amine?
The InChIKey is OJCONVOIFYKZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS/c1-5(3-8)12-4-7-10-9-6(2)11-7/h5H,3-4,8H2,1-2H3.
What are the key properties of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-amine?
2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-amine has a molecular weight of 187.27 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-amine is sourced from PubChem (CID 66220356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).