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

C13H17F2N5S2 — CID 17399695

IUPACN-cyclohexyl-5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESFC(F)n1ccnc1CSc1nnc(NC2CCCCC2)s1
InChIInChI=1S/C13H17F2N5S2/c14-11(15)20-7-6-16-10(20)8-21-13-19-18-12(22-13)17-9-4-2-1-3-5-9/h6-7,9,11H,1-5,8H2,(H,17,18)
InChIKeyORIGCIVLQFDUCA-UHFFFAOYSA-N
MW345.44 g/mol
LogP4.17
Rot. Bonds6

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

N-cyclohexyl-5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 17399695) has the molecular formula C13H17F2N5S2 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-cyclohexyl-5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID17399695
Molecular FormulaC13H17F2N5S2
Molecular Weight345.44 g/mol
Exact Mass345.09
IUPAC NameN-cyclohexyl-5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESFC(F)n1ccnc1CSc1nnc(NC2CCCCC2)s1
InChIInChI=1S/C13H17F2N5S2/c14-11(15)20-7-6-16-10(20)8-21-13-19-18-12(22-13)17-9-4-2-1-3-5-9/h6-7,9,11H,1-5,8H2,(H,17,18)
InChIKeyORIGCIVLQFDUCA-UHFFFAOYSA-N
XLogP4.17
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-cyclohexyl-5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-cyclohexyl-5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 17399695) is N-cyclohexyl-5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-cyclohexyl-5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-cyclohexyl-5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine is FC(F)n1ccnc1CSc1nnc(NC2CCCCC2)s1.
What is the InChIKey of N-cyclohexyl-5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is ORIGCIVLQFDUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N5S2/c14-11(15)20-7-6-16-10(20)8-21-13-19-18-12(22-13)17-9-4-2-1-3-5-9/h6-7,9,11H,1-5,8H2,(H,17,18).
What are the key properties of N-cyclohexyl-5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?
N-cyclohexyl-5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 345.44 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 17399695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).