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

C10H12N4S3 — CID 7797773

IUPAC5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine
SMILESC=CCNc1nnc(SCc2csc(C)n2)s1
InChIInChI=1S/C10H12N4S3/c1-3-4-11-9-13-14-10(17-9)16-6-8-5-15-7(2)12-8/h3,5H,1,4,6H2,2H3,(H,11,13)
InChIKeyZUPPDULOOZDZJW-UHFFFAOYSA-N
MW284.44 g/mol
LogP3.19
Rot. Bonds6

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

5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine (PubChem CID 7797773) has the molecular formula C10H12N4S3 and a molecular weight of 284.44 g/mol. Its IUPAC name is 5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine
PubChem CID7797773
Molecular FormulaC10H12N4S3
Molecular Weight284.44 g/mol
Exact Mass284.02
IUPAC Name5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine
SMILESC=CCNc1nnc(SCc2csc(C)n2)s1
InChIInChI=1S/C10H12N4S3/c1-3-4-11-9-13-14-10(17-9)16-6-8-5-15-7(2)12-8/h3,5H,1,4,6H2,2H3,(H,11,13)
InChIKeyZUPPDULOOZDZJW-UHFFFAOYSA-N
XLogP3.19
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine (CID 7797773) is 5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine is C=CCNc1nnc(SCc2csc(C)n2)s1.
What is the InChIKey of 5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine?
The InChIKey is ZUPPDULOOZDZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S3/c1-3-4-11-9-13-14-10(17-9)16-6-8-5-15-7(2)12-8/h3,5H,1,4,6H2,2H3,(H,11,13).
What are the key properties of 5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine?
5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine has a molecular weight of 284.44 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 7797773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).