N-[5-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide

C20H17N3O2S2 — CID 3157351

IUPACN-[5-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nnc(SCC(=O)c2ccc3c(c2)Cc2ccccc2-3)s1
InChIInChI=1S/C20H17N3O2S2/c1-2-18(25)21-19-22-23-20(27-19)26-11-17(24)13-7-8-16-14(10-13)9-12-5-3-4-6-15(12)16/h3-8,10H,2,9,11H2,1H3,(H,21,22,25)
InChIKeyYWSINDKDXWZJJY-UHFFFAOYSA-N
MW395.51 g/mol
LogP4.43
Rot. Bonds6

About N-[5-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide

N-[5-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 3157351) has the molecular formula C20H17N3O2S2 and a molecular weight of 395.51 g/mol. Its IUPAC name is N-[5-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[5-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID3157351
Molecular FormulaC20H17N3O2S2
Molecular Weight395.51 g/mol
Exact Mass395.08
IUPAC NameN-[5-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nnc(SCC(=O)c2ccc3c(c2)Cc2ccccc2-3)s1
InChIInChI=1S/C20H17N3O2S2/c1-2-18(25)21-19-22-23-20(27-19)26-11-17(24)13-7-8-16-14(10-13)9-12-5-3-4-6-15(12)16/h3-8,10H,2,9,11H2,1H3,(H,21,22,25)
InChIKeyYWSINDKDXWZJJY-UHFFFAOYSA-N
XLogP4.43
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

N-(5-{[2-(2-naphthyl)-2-oxoethyl]thio}-1,3,4-thiadiazol-2-yl)-3-phenylacrylamide
CID 2294457
N-(5-((2-(9H-fluoren-2-yl)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)acetamide
CID 1318935
N-{5-[(2-oxo-2-phenylethyl)thio]-1,3,4-thiadiazol-2-yl}acetamide
CID 717874
N-{5-[(3-acetyl-2,4,6-trimethylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}acetamide
CID 806188
(2E)-N-{5-[(2-oxo-2-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-phenylprop-2-enamide
CID 1315189
Cambridge id 6957778
CID 1326310
N-{5-[(2-oxo-2-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-phenylpropanamide
CID 1845047
N-(5-((2-oxo-2-phenylethyl)thio)-1,3,4-thiadiazol-2-yl)-2-naphthamide
CID 3651252
N-(5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide
CID 4288095
N-[5-[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide
CID 45965050
N-[5-({2-Oxo-2-[3-(trifluoromethyl)phenyl]ethyl}sulfanyl)-1,3,4-thiadiazol-2-YL]heptanamide
CID 45965077
N-[5-(2-naphthalen-2-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide
CID 895629

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of N-[5-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide (CID 3157351) is N-[5-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for N-[5-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for N-[5-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide is CCC(=O)Nc1nnc(SCC(=O)c2ccc3c(c2)Cc2ccccc2-3)s1.
What is the InChIKey of N-[5-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is YWSINDKDXWZJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S2/c1-2-18(25)21-19-22-23-20(27-19)26-11-17(24)13-7-8-16-14(10-13)9-12-5-3-4-6-15(12)16/h3-8,10H,2,9,11H2,1H3,(H,21,22,25).
What are the key properties of N-[5-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide?
N-[5-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 395.51 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 3157351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).