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

C10H13F2N5S2 — CID 38117738

IUPAC5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(SCc2nccn2C(F)F)s1
InChIInChI=1S/C10H13F2N5S2/c1-2-3-14-9-15-16-10(19-9)18-6-7-13-4-5-17(7)8(11)12/h4-5,8H,2-3,6H2,1H3,(H,14,15)
InChIKeyVXCIYJCBBULKME-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.24
Rot. Bonds7

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

5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-propyl-1,3,4-thiadiazol-2-amine (PubChem CID 38117738) has the molecular formula C10H13F2N5S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-propyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-propyl-1,3,4-thiadiazol-2-amine
PubChem CID38117738
Molecular FormulaC10H13F2N5S2
Molecular Weight305.38 g/mol
Exact Mass305.06
IUPAC Name5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(SCc2nccn2C(F)F)s1
InChIInChI=1S/C10H13F2N5S2/c1-2-3-14-9-15-16-10(19-9)18-6-7-13-4-5-17(7)8(11)12/h4-5,8H,2-3,6H2,1H3,(H,14,15)
InChIKeyVXCIYJCBBULKME-UHFFFAOYSA-N
XLogP3.24
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.24
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-propyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-propyl-1,3,4-thiadiazol-2-amine (CID 38117738) is 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-propyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-propyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-propyl-1,3,4-thiadiazol-2-amine is CCCNc1nnc(SCc2nccn2C(F)F)s1.
What is the InChIKey of 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-propyl-1,3,4-thiadiazol-2-amine?
The InChIKey is VXCIYJCBBULKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N5S2/c1-2-3-14-9-15-16-10(19-9)18-6-7-13-4-5-17(7)8(11)12/h4-5,8H,2-3,6H2,1H3,(H,14,15).
What are the key properties of 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-propyl-1,3,4-thiadiazol-2-amine?
5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-propyl-1,3,4-thiadiazol-2-amine has a molecular weight of 305.38 g/mol, XLogP of 3.24, 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-propyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 38117738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).