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

C11H15N5OS2 — CID 36586419

IUPACN-prop-2-enyl-5-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESC=CCNc1nnc(SCc2nc(CCC)no2)s1
InChIInChI=1S/C11H15N5OS2/c1-3-5-8-13-9(17-16-8)7-18-11-15-14-10(19-11)12-6-4-2/h4H,2-3,5-7H2,1H3,(H,12,14)
InChIKeyFATQBNATBLFPCZ-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.76
Rot. Bonds8

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

N-prop-2-enyl-5-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 36586419) has the molecular formula C11H15N5OS2 and a molecular weight of 297.41 g/mol. Its IUPAC name is N-prop-2-enyl-5-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-prop-2-enyl-5-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID36586419
Molecular FormulaC11H15N5OS2
Molecular Weight297.41 g/mol
Exact Mass297.07
IUPAC NameN-prop-2-enyl-5-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESC=CCNc1nnc(SCc2nc(CCC)no2)s1
InChIInChI=1S/C11H15N5OS2/c1-3-5-8-13-9(17-16-8)7-18-11-15-14-10(19-11)12-6-4-2/h4H,2-3,5-7H2,1H3,(H,12,14)
InChIKeyFATQBNATBLFPCZ-UHFFFAOYSA-N
XLogP2.76
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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

Related Compounds

5-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(furan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 36808968
5-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine
CID 18165695
5-methylsulfanyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine
CID 83380562
5-[(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 47393522
[4-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]phenyl]methanol
CID 110005154
5-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine
CID 71875817
2-[[5-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 46529933
N-[3-[[5-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]phenyl]acetamide
CID 46575699
5-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine
CID 7797990
N-(3-chloro-2-methylphenyl)-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 24649734
5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine
CID 7797402
5-[[(2R)-oxan-2-yl]methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine
CID 51923364

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-5-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-prop-2-enyl-5-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 36586419) is N-prop-2-enyl-5-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-prop-2-enyl-5-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-prop-2-enyl-5-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is C=CCNc1nnc(SCc2nc(CCC)no2)s1.
What is the InChIKey of N-prop-2-enyl-5-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is FATQBNATBLFPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS2/c1-3-5-8-13-9(17-16-8)7-18-11-15-14-10(19-11)12-6-4-2/h4H,2-3,5-7H2,1H3,(H,12,14).
What are the key properties of N-prop-2-enyl-5-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
N-prop-2-enyl-5-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 297.41 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-5-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 36586419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).