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

C10H11F2N5S2 — CID 17451240

IUPACN-cyclopropyl-5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESFC(F)n1ccnc1CSc1nnc(NC2CC2)s1
InChIInChI=1S/C10H11F2N5S2/c11-8(12)17-4-3-13-7(17)5-18-10-16-15-9(19-10)14-6-1-2-6/h3-4,6,8H,1-2,5H2,(H,14,15)
InChIKeyUQMOAGKRJUYUNH-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.00
Rot. Bonds6

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

N-cyclopropyl-5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 17451240) has the molecular formula C10H11F2N5S2 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-cyclopropyl-5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID17451240
Molecular FormulaC10H11F2N5S2
Molecular Weight303.36 g/mol
Exact Mass303.04
IUPAC NameN-cyclopropyl-5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESFC(F)n1ccnc1CSc1nnc(NC2CC2)s1
InChIInChI=1S/C10H11F2N5S2/c11-8(12)17-4-3-13-7(17)5-18-10-16-15-9(19-10)14-6-1-2-6/h3-4,6,8H,1-2,5H2,(H,14,15)
InChIKeyUQMOAGKRJUYUNH-UHFFFAOYSA-N
XLogP3.00
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-cyclopropyl-5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 17451240) is N-cyclopropyl-5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-cyclopropyl-5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-cyclopropyl-5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine is FC(F)n1ccnc1CSc1nnc(NC2CC2)s1.
What is the InChIKey of N-cyclopropyl-5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is UQMOAGKRJUYUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N5S2/c11-8(12)17-4-3-13-7(17)5-18-10-16-15-9(19-10)14-6-1-2-6/h3-4,6,8H,1-2,5H2,(H,14,15).
What are the key properties of N-cyclopropyl-5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?
N-cyclopropyl-5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 303.36 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 17451240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).