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

C9H11F2N5S2 — CID 17440538

IUPAC5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(SCc2nccn2C(F)F)s1
InChIInChI=1S/C9H11F2N5S2/c1-2-12-8-14-15-9(18-8)17-5-6-13-3-4-16(6)7(10)11/h3-4,7H,2,5H2,1H3,(H,12,14)
InChIKeyAAVNUHRWIXTHLE-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.85
Rot. Bonds6

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

5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine (PubChem CID 17440538) has the molecular formula C9H11F2N5S2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine
PubChem CID17440538
Molecular FormulaC9H11F2N5S2
Molecular Weight291.35 g/mol
Exact Mass291.04
IUPAC Name5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(SCc2nccn2C(F)F)s1
InChIInChI=1S/C9H11F2N5S2/c1-2-12-8-14-15-9(18-8)17-5-6-13-3-4-16(6)7(10)11/h3-4,7H,2,5H2,1H3,(H,12,14)
InChIKeyAAVNUHRWIXTHLE-UHFFFAOYSA-N
XLogP2.85
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.85
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]-N-ethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine (CID 17440538) is 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine is CCNc1nnc(SCc2nccn2C(F)F)s1.
What is the InChIKey of 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is AAVNUHRWIXTHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N5S2/c1-2-12-8-14-15-9(18-8)17-5-6-13-3-4-16(6)7(10)11/h3-4,7H,2,5H2,1H3,(H,12,14).
What are the key properties of 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine?
5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 291.35 g/mol, XLogP of 2.85, 6 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-ethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 17440538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).