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

C15H13FN4S3 — CID 7798359

IUPAC5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine
SMILESC=CCNc1nnc(SCc2csc(-c3ccc(F)cc3)n2)s1
InChIInChI=1S/C15H13FN4S3/c1-2-7-17-14-19-20-15(23-14)22-9-12-8-21-13(18-12)10-3-5-11(16)6-4-10/h2-6,8H,1,7,9H2,(H,17,19)
InChIKeyIBEIUPMAWYBIOM-UHFFFAOYSA-N
MW364.50 g/mol
LogP4.69
Rot. Bonds7

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

5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine (PubChem CID 7798359) has the molecular formula C15H13FN4S3 and a molecular weight of 364.50 g/mol. Its IUPAC name is 5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine
PubChem CID7798359
Molecular FormulaC15H13FN4S3
Molecular Weight364.50 g/mol
Exact Mass364.03
IUPAC Name5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine
SMILESC=CCNc1nnc(SCc2csc(-c3ccc(F)cc3)n2)s1
InChIInChI=1S/C15H13FN4S3/c1-2-7-17-14-19-20-15(23-14)22-9-12-8-21-13(18-12)10-3-5-11(16)6-4-10/h2-6,8H,1,7,9H2,(H,17,19)
InChIKeyIBEIUPMAWYBIOM-UHFFFAOYSA-N
XLogP4.69
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.50
LogP ≤ 54.69
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-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine (CID 7798359) is 5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine is C=CCNc1nnc(SCc2csc(-c3ccc(F)cc3)n2)s1.
What is the InChIKey of 5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine?
The InChIKey is IBEIUPMAWYBIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4S3/c1-2-7-17-14-19-20-15(23-14)22-9-12-8-21-13(18-12)10-3-5-11(16)6-4-10/h2-6,8H,1,7,9H2,(H,17,19).
What are the key properties of 5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine?
5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine has a molecular weight of 364.50 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 7798359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).