(1S)-2-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propan-1-amine

C10H13N3OS — CID 42047030

IUPAC(1S)-2-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propan-1-amine
SMILESCC(C)[C@H](N)c1nnc(-c2cccs2)o1
InChIInChI=1S/C10H13N3OS/c1-6(2)8(11)10-13-12-9(14-10)7-4-3-5-15-7/h3-6,8H,11H2,1-2H3/t8-/m0/s1
InChIKeyUJCIEPZZCBDLAN-QMMMGPOBSA-N
MW223.30 g/mol
LogP2.45
Rot. Bonds3

About (1S)-2-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propan-1-amine

(1S)-2-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propan-1-amine (PubChem CID 42047030) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is (1S)-2-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-2-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propan-1-amine
PubChem CID42047030
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name(1S)-2-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propan-1-amine
SMILESCC(C)[C@H](N)c1nnc(-c2cccs2)o1
InChIInChI=1S/C10H13N3OS/c1-6(2)8(11)10-13-12-9(14-10)7-4-3-5-15-7/h3-6,8H,11H2,1-2H3/t8-/m0/s1
InChIKeyUJCIEPZZCBDLAN-QMMMGPOBSA-N
XLogP2.45
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propan-1-amine?
The IUPAC name of (1S)-2-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propan-1-amine (CID 42047030) is (1S)-2-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propan-1-amine.
What is the SMILES notation for (1S)-2-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propan-1-amine?
The canonical SMILES for (1S)-2-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propan-1-amine is CC(C)[C@H](N)c1nnc(-c2cccs2)o1.
What is the InChIKey of (1S)-2-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propan-1-amine?
The InChIKey is UJCIEPZZCBDLAN-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-6(2)8(11)10-13-12-9(14-10)7-4-3-5-15-7/h3-6,8H,11H2,1-2H3/t8-/m0/s1.
What are the key properties of (1S)-2-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propan-1-amine?
(1S)-2-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propan-1-amine has a molecular weight of 223.30 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propan-1-amine is sourced from PubChem (CID 42047030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).