2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide

C15H19FN4OS3 — CID 17415200

IUPAC2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide
SMILESCCNc1nnc(SCC(=O)NCCSCc2ccccc2F)s1
InChIInChI=1S/C15H19FN4OS3/c1-2-17-14-19-20-15(24-14)23-10-13(21)18-7-8-22-9-11-5-3-4-6-12(11)16/h3-6H,2,7-10H2,1H3,(H,17,19)(H,18,21)
InChIKeyIBHYOEUKXZPBDF-UHFFFAOYSA-N
MW386.54 g/mol
LogP3.25
Rot. Bonds10

About 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide

2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide (PubChem CID 17415200) has the molecular formula C15H19FN4OS3 and a molecular weight of 386.54 g/mol. Its IUPAC name is 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide.

Molecular Properties

Compound Name2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide
PubChem CID17415200
Molecular FormulaC15H19FN4OS3
Molecular Weight386.54 g/mol
Exact Mass386.07
IUPAC Name2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide
SMILESCCNc1nnc(SCC(=O)NCCSCc2ccccc2F)s1
InChIInChI=1S/C15H19FN4OS3/c1-2-17-14-19-20-15(24-14)23-10-13(21)18-7-8-22-9-11-5-3-4-6-12(11)16/h3-6H,2,7-10H2,1H3,(H,17,19)(H,18,21)
InChIKeyIBHYOEUKXZPBDF-UHFFFAOYSA-N
XLogP3.25
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(2-fluorophenyl)methylsulfanyl]acetamide
CID 100754154
N-(2,5-difluorophenyl)-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 51236767
N-(1,2-diphenylethyl)-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 18092540
2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-pentylacetamide
CID 40673546
2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 35160894
N-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]acetamide
CID 9379614
N-carbamoyl-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 9379533
N-[2-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-2-oxoethyl]-N-methylbenzamide
CID 55567664
2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methylsulfonylphenyl)acetamide
CID 27987722
N-[(2-fluorophenyl)methyl]-2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 8970026
(2R)-2-amino-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide
CID 119271967
4-tert-butyl-N-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 3315489

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide?
The IUPAC name of 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide (CID 17415200) is 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide.
What is the SMILES notation for 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide?
The canonical SMILES for 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide is CCNc1nnc(SCC(=O)NCCSCc2ccccc2F)s1.
What is the InChIKey of 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide?
The InChIKey is IBHYOEUKXZPBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4OS3/c1-2-17-14-19-20-15(24-14)23-10-13(21)18-7-8-22-9-11-5-3-4-6-12(11)16/h3-6H,2,7-10H2,1H3,(H,17,19)(H,18,21).
What are the key properties of 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide?
2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide has a molecular weight of 386.54 g/mol, XLogP of 3.25, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide is sourced from PubChem (CID 17415200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).