1-[5-(3-chloro-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine

C12H16ClN3OS — CID 103405529

IUPAC1-[5-(3-chloro-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1nnc(-c2scc(C)c2Cl)o1
InChIInChI=1S/C12H16ClN3OS/c1-4-8(14-5-2)11-15-16-12(17-11)10-9(13)7(3)6-18-10/h6,8,14H,4-5H2,1-3H3
InChIKeyLGCGJTQBBGKJDC-UHFFFAOYSA-N
MW285.80 g/mol
LogP3.82
Rot. Bonds5

About 1-[5-(3-chloro-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine

1-[5-(3-chloro-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine (PubChem CID 103405529) has the molecular formula C12H16ClN3OS and a molecular weight of 285.80 g/mol. Its IUPAC name is 1-[5-(3-chloro-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(3-chloro-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
PubChem CID103405529
Molecular FormulaC12H16ClN3OS
Molecular Weight285.80 g/mol
Exact Mass285.07
IUPAC Name1-[5-(3-chloro-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1nnc(-c2scc(C)c2Cl)o1
InChIInChI=1S/C12H16ClN3OS/c1-4-8(14-5-2)11-15-16-12(17-11)10-9(13)7(3)6-18-10/h6,8,14H,4-5H2,1-3H3
InChIKeyLGCGJTQBBGKJDC-UHFFFAOYSA-N
XLogP3.82
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.80
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-chloro-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine?
The IUPAC name of 1-[5-(3-chloro-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine (CID 103405529) is 1-[5-(3-chloro-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine.
What is the SMILES notation for 1-[5-(3-chloro-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine?
The canonical SMILES for 1-[5-(3-chloro-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine is CCNC(CC)c1nnc(-c2scc(C)c2Cl)o1.
What is the InChIKey of 1-[5-(3-chloro-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine?
The InChIKey is LGCGJTQBBGKJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3OS/c1-4-8(14-5-2)11-15-16-12(17-11)10-9(13)7(3)6-18-10/h6,8,14H,4-5H2,1-3H3.
What are the key properties of 1-[5-(3-chloro-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine?
1-[5-(3-chloro-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine has a molecular weight of 285.80 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-chloro-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine is sourced from PubChem (CID 103405529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).