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

C10H11F2N5S2 — CID 17409713

IUPAC5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine
SMILESC=CCNc1nnc(SCc2nccn2C(F)F)s1
InChIInChI=1S/C10H11F2N5S2/c1-2-3-14-9-15-16-10(19-9)18-6-7-13-4-5-17(7)8(11)12/h2,4-5,8H,1,3,6H2,(H,14,15)
InChIKeyBSGRVHHTEHPEDY-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.02
Rot. Bonds7

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

5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine (PubChem CID 17409713) has the molecular formula C10H11F2N5S2 and a molecular weight of 303.36 g/mol. Its IUPAC name is 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine
PubChem CID17409713
Molecular FormulaC10H11F2N5S2
Molecular Weight303.36 g/mol
Exact Mass303.04
IUPAC Name5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine
SMILESC=CCNc1nnc(SCc2nccn2C(F)F)s1
InChIInChI=1S/C10H11F2N5S2/c1-2-3-14-9-15-16-10(19-9)18-6-7-13-4-5-17(7)8(11)12/h2,4-5,8H,1,3,6H2,(H,14,15)
InChIKeyBSGRVHHTEHPEDY-UHFFFAOYSA-N
XLogP3.02
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.02
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-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine (CID 17409713) is 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine is C=CCNc1nnc(SCc2nccn2C(F)F)s1.
What is the InChIKey of 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine?
The InChIKey is BSGRVHHTEHPEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N5S2/c1-2-3-14-9-15-16-10(19-9)18-6-7-13-4-5-17(7)8(11)12/h2,4-5,8H,1,3,6H2,(H,14,15).
What are the key properties of 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine?
5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine has a molecular weight of 303.36 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 17409713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).