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

C11H17N5OS — CID 65215920

IUPAC2-methyl-N-[3-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propyl]propan-2-amine
SMILESCC(C)(C)NCCCc1nnc(-c2csnn2)o1
InChIInChI=1S/C11H17N5OS/c1-11(2,3)12-6-4-5-9-14-15-10(17-9)8-7-18-16-13-8/h7,12H,4-6H2,1-3H3
InChIKeyKUELSYPZGBRNOP-UHFFFAOYSA-N
MW267.36 g/mol
LogP1.91
Rot. Bonds5

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

2-methyl-N-[3-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propyl]propan-2-amine (PubChem CID 65215920) has the molecular formula C11H17N5OS and a molecular weight of 267.36 g/mol. Its IUPAC name is 2-methyl-N-[3-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[3-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propyl]propan-2-amine
PubChem CID65215920
Molecular FormulaC11H17N5OS
Molecular Weight267.36 g/mol
Exact Mass267.12
IUPAC Name2-methyl-N-[3-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propyl]propan-2-amine
SMILESCC(C)(C)NCCCc1nnc(-c2csnn2)o1
InChIInChI=1S/C11H17N5OS/c1-11(2,3)12-6-4-5-9-14-15-10(17-9)8-7-18-16-13-8/h7,12H,4-6H2,1-3H3
InChIKeyKUELSYPZGBRNOP-UHFFFAOYSA-N
XLogP1.91
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[3-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propyl]propan-2-amine (CID 65215920) is 2-methyl-N-[3-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[3-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[3-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propyl]propan-2-amine is CC(C)(C)NCCCc1nnc(-c2csnn2)o1.
What is the InChIKey of 2-methyl-N-[3-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propyl]propan-2-amine?
The InChIKey is KUELSYPZGBRNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5OS/c1-11(2,3)12-6-4-5-9-14-15-10(17-9)8-7-18-16-13-8/h7,12H,4-6H2,1-3H3.
What are the key properties of 2-methyl-N-[3-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propyl]propan-2-amine?
2-methyl-N-[3-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propyl]propan-2-amine has a molecular weight of 267.36 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propyl]propan-2-amine is sourced from PubChem (CID 65215920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).