N-[2-(difluoromethylsulfanyl)phenyl]-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

C13H14F2N4OS3 — CID 42153579

IUPACN-[2-(difluoromethylsulfanyl)phenyl]-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCCNc1nnc(SCC(=O)Nc2ccccc2SC(F)F)s1
InChIInChI=1S/C13H14F2N4OS3/c1-2-16-12-18-19-13(23-12)21-7-10(20)17-8-5-3-4-6-9(8)22-11(14)15/h3-6,11H,2,7H2,1H3,(H,16,18)(H,17,20)
InChIKeyKVDQPMGIJMEVQU-UHFFFAOYSA-N
MW376.48 g/mol
LogP4.02
Rot. Bonds8

About N-[2-(difluoromethylsulfanyl)phenyl]-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

N-[2-(difluoromethylsulfanyl)phenyl]-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 42153579) has the molecular formula C13H14F2N4OS3 and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfanyl)phenyl]-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfanyl)phenyl]-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
PubChem CID42153579
Molecular FormulaC13H14F2N4OS3
Molecular Weight376.48 g/mol
Exact Mass376.03
IUPAC NameN-[2-(difluoromethylsulfanyl)phenyl]-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCCNc1nnc(SCC(=O)Nc2ccccc2SC(F)F)s1
InChIInChI=1S/C13H14F2N4OS3/c1-2-16-12-18-19-13(23-12)21-7-10(20)17-8-5-3-4-6-9(8)22-11(14)15/h3-6,11H,2,7H2,1H3,(H,16,18)(H,17,20)
InChIKeyKVDQPMGIJMEVQU-UHFFFAOYSA-N
XLogP4.02
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 42153579) is N-[2-(difluoromethylsulfanyl)phenyl]-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-[2-(difluoromethylsulfanyl)phenyl]-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-[2-(difluoromethylsulfanyl)phenyl]-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is CCNc1nnc(SCC(=O)Nc2ccccc2SC(F)F)s1.
What is the InChIKey of N-[2-(difluoromethylsulfanyl)phenyl]-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is KVDQPMGIJMEVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4OS3/c1-2-16-12-18-19-13(23-12)21-7-10(20)17-8-5-3-4-6-9(8)22-11(14)15/h3-6,11H,2,7H2,1H3,(H,16,18)(H,17,20).
What are the key properties of N-[2-(difluoromethylsulfanyl)phenyl]-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
N-[2-(difluoromethylsulfanyl)phenyl]-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 376.48 g/mol, XLogP of 4.02, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethylsulfanyl)phenyl]-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 42153579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).