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

C12H17N3OS — CID 95262174

IUPACN-methyl-N-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine
SMILESCCCN(C)[C@@H](C)c1nnc(-c2cccs2)o1
InChIInChI=1S/C12H17N3OS/c1-4-7-15(3)9(2)11-13-14-12(16-11)10-6-5-8-17-10/h5-6,8-9H,4,7H2,1-3H3/t9-/m0/s1
InChIKeyHLZAWDORLVAGDS-VIFPVBQESA-N
MW251.35 g/mol
LogP3.20
Rot. Bonds5

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

N-methyl-N-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine (PubChem CID 95262174) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is N-methyl-N-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine
PubChem CID95262174
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC NameN-methyl-N-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine
SMILESCCCN(C)[C@@H](C)c1nnc(-c2cccs2)o1
InChIInChI=1S/C12H17N3OS/c1-4-7-15(3)9(2)11-13-14-12(16-11)10-6-5-8-17-10/h5-6,8-9H,4,7H2,1-3H3/t9-/m0/s1
InChIKeyHLZAWDORLVAGDS-VIFPVBQESA-N
XLogP3.20
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-methyl-N-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine (CID 95262174) is N-methyl-N-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-methyl-N-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-methyl-N-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine is CCCN(C)[C@@H](C)c1nnc(-c2cccs2)o1.
What is the InChIKey of N-methyl-N-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine?
The InChIKey is HLZAWDORLVAGDS-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17N3OS/c1-4-7-15(3)9(2)11-13-14-12(16-11)10-6-5-8-17-10/h5-6,8-9H,4,7H2,1-3H3/t9-/m0/s1.
What are the key properties of N-methyl-N-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine?
N-methyl-N-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine has a molecular weight of 251.35 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 95262174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).