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

C9H13N5OS — CID 106402539

IUPACN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCc1nsc(NCc2noc(C)n2)n1
InChIInChI=1S/C9H13N5OS/c1-3-4-7-12-9(16-14-7)10-5-8-11-6(2)15-13-8/h3-5H2,1-2H3,(H,10,12,14)
InChIKeyCGJZVDXWGNZXKL-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.79
Rot. Bonds5

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

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine (PubChem CID 106402539) has the molecular formula C9H13N5OS and a molecular weight of 239.30 g/mol. Its IUPAC name is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine
PubChem CID106402539
Molecular FormulaC9H13N5OS
Molecular Weight239.30 g/mol
Exact Mass239.08
IUPAC NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCc1nsc(NCc2noc(C)n2)n1
InChIInChI=1S/C9H13N5OS/c1-3-4-7-12-9(16-14-7)10-5-8-11-6(2)15-13-8/h3-5H2,1-2H3,(H,10,12,14)
InChIKeyCGJZVDXWGNZXKL-UHFFFAOYSA-N
XLogP1.79
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

N,N-dimethyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetamide
CID 65271389
3-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]pentan-3-ol
CID 65274410
2-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-thiazole-2,5-diamine
CID 106393181
N-(2-methylsulfonylethyl)-3-propyl-1,2,4-thiadiazol-5-amine
CID 65271114
2-N-ethyl-6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,6-diamine
CID 106411661
6-N-ethyl-2-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazine-2,6-diamine
CID 113243843
N-[2-(oxolan-2-yl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 65276420
N-[(3,4-dimethoxyphenyl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 65270936
2-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanamide
CID 65277150
N-[2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethyl]acetamide
CID 65271676
2-N-ethyl-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,4-diamine
CID 106411583
ethyl 2-methyl-2-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1,3-thiazol-4-yl]propanoate
CID 106411445

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine (CID 106402539) is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine is CCCc1nsc(NCc2noc(C)n2)n1.
What is the InChIKey of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine?
The InChIKey is CGJZVDXWGNZXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5OS/c1-3-4-7-12-9(16-14-7)10-5-8-11-6(2)15-13-8/h3-5H2,1-2H3,(H,10,12,14).
What are the key properties of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine?
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine has a molecular weight of 239.30 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 106402539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).