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

C12H18N4OS — CID 65199096

IUPAC1-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1nnc(-c2csc(C)n2)o1
InChIInChI=1S/C12H18N4OS/c1-4-6-13-9(5-2)11-15-16-12(17-11)10-7-18-8(3)14-10/h7,9,13H,4-6H2,1-3H3
InChIKeyJVGACRVQLUMCHN-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.95
Rot. Bonds6

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

1-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine (PubChem CID 65199096) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 1-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
PubChem CID65199096
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name1-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1nnc(-c2csc(C)n2)o1
InChIInChI=1S/C12H18N4OS/c1-4-6-13-9(5-2)11-15-16-12(17-11)10-7-18-8(3)14-10/h7,9,13H,4-6H2,1-3H3
InChIKeyJVGACRVQLUMCHN-UHFFFAOYSA-N
XLogP2.95
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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

Launch Full Analysis

Related Compounds

1-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62859470
N-propyl-1-[5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62857122
1-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-1-amine
CID 105078510
1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62857467
N-propyl-1-[5-(thiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 65215061
1-[5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 107981062
1-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62859130
N-propyl-1-[5-(3,4,5-trifluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 63190079
1-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 104672369
1-[5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 63048632
1-[5-(3-chloro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 63195353
N-ethyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 65216144

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
The IUPAC name of 1-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine (CID 65199096) is 1-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine is CCCNC(CC)c1nnc(-c2csc(C)n2)o1.
What is the InChIKey of 1-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
The InChIKey is JVGACRVQLUMCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-4-6-13-9(5-2)11-15-16-12(17-11)10-7-18-8(3)14-10/h7,9,13H,4-6H2,1-3H3.
What are the key properties of 1-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
1-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine has a molecular weight of 266.37 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine is sourced from PubChem (CID 65199096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).