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

C9H13N5OS — CID 65215814

IUPAC2-methyl-N-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1nnc(-c2csnn2)o1
InChIInChI=1S/C9H13N5OS/c1-9(2,3)10-4-7-12-13-8(15-7)6-5-16-14-11-6/h5,10H,4H2,1-3H3
InChIKeyLLVGXDWMRIOCLB-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.48
Rot. Bonds3

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

2-methyl-N-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine (PubChem CID 65215814) has the molecular formula C9H13N5OS and a molecular weight of 239.30 g/mol. Its IUPAC name is 2-methyl-N-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
PubChem CID65215814
Molecular FormulaC9H13N5OS
Molecular Weight239.30 g/mol
Exact Mass239.08
IUPAC Name2-methyl-N-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1nnc(-c2csnn2)o1
InChIInChI=1S/C9H13N5OS/c1-9(2,3)10-4-7-12-13-8(15-7)6-5-16-14-11-6/h5,10H,4H2,1-3H3
InChIKeyLLVGXDWMRIOCLB-UHFFFAOYSA-N
XLogP1.48
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine (CID 65215814) is 2-methyl-N-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine is CC(C)(C)NCc1nnc(-c2csnn2)o1.
What is the InChIKey of 2-methyl-N-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The InChIKey is LLVGXDWMRIOCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5OS/c1-9(2,3)10-4-7-12-13-8(15-7)6-5-16-14-11-6/h5,10H,4H2,1-3H3.
What are the key properties of 2-methyl-N-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
2-methyl-N-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine has a molecular weight of 239.30 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 65215814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).