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

C7H7F2N5S2 — CID 17419905

IUPAC5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(SCc2nccn2C(F)F)s1
InChIInChI=1S/C7H7F2N5S2/c8-5(9)14-2-1-11-4(14)3-15-7-13-12-6(10)16-7/h1-2,5H,3H2,(H2,10,12)
InChIKeyZZMVQIOYMRSZTM-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.00
Rot. Bonds4

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

5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 17419905) has the molecular formula C7H7F2N5S2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID17419905
Molecular FormulaC7H7F2N5S2
Molecular Weight263.30 g/mol
Exact Mass263.01
IUPAC Name5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(SCc2nccn2C(F)F)s1
InChIInChI=1S/C7H7F2N5S2/c8-5(9)14-2-1-11-4(14)3-15-7-13-12-6(10)16-7/h1-2,5H,3H2,(H2,10,12)
InChIKeyZZMVQIOYMRSZTM-UHFFFAOYSA-N
XLogP2.00
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 17419905) is 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine is Nc1nnc(SCc2nccn2C(F)F)s1.
What is the InChIKey of 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is ZZMVQIOYMRSZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2N5S2/c8-5(9)14-2-1-11-4(14)3-15-7-13-12-6(10)16-7/h1-2,5H,3H2,(H2,10,12).
What are the key properties of 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?
5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 263.30 g/mol, XLogP of 2.00, 4 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]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 17419905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).