4-prop-2-enyl-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-amine

C12H17N5S2 — CID 33366807

IUPAC4-prop-2-enyl-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-amine
SMILESC=CCn1c(N)nnc1SCc1csc(CCC)n1
InChIInChI=1S/C12H17N5S2/c1-3-5-10-14-9(7-18-10)8-19-12-16-15-11(13)17(12)6-4-2/h4,7H,2-3,5-6,8H2,1H3,(H2,13,15)
InChIKeyKBCUGBRBOCYNAJ-UHFFFAOYSA-N
MW295.44 g/mol
LogP2.75
Rot. Bonds7

About 4-prop-2-enyl-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-amine

4-prop-2-enyl-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-amine (PubChem CID 33366807) has the molecular formula C12H17N5S2 and a molecular weight of 295.44 g/mol. Its IUPAC name is 4-prop-2-enyl-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name4-prop-2-enyl-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-amine
PubChem CID33366807
Molecular FormulaC12H17N5S2
Molecular Weight295.44 g/mol
Exact Mass295.09
IUPAC Name4-prop-2-enyl-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-amine
SMILESC=CCn1c(N)nnc1SCc1csc(CCC)n1
InChIInChI=1S/C12H17N5S2/c1-3-5-10-14-9(7-18-10)8-19-12-16-15-11(13)17(12)6-4-2/h4,7H,2-3,5-6,8H2,1H3,(H2,13,15)
InChIKeyKBCUGBRBOCYNAJ-UHFFFAOYSA-N
XLogP2.75
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-prop-2-enyl-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-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 4-prop-2-enyl-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-amine?
The IUPAC name of 4-prop-2-enyl-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-amine (CID 33366807) is 4-prop-2-enyl-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for 4-prop-2-enyl-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-amine?
The canonical SMILES for 4-prop-2-enyl-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-amine is C=CCn1c(N)nnc1SCc1csc(CCC)n1.
What is the InChIKey of 4-prop-2-enyl-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-amine?
The InChIKey is KBCUGBRBOCYNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S2/c1-3-5-10-14-9(7-18-10)8-19-12-16-15-11(13)17(12)6-4-2/h4,7H,2-3,5-6,8H2,1H3,(H2,13,15).
What are the key properties of 4-prop-2-enyl-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-amine?
4-prop-2-enyl-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-amine has a molecular weight of 295.44 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enyl-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 33366807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).