N-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)acetamide

C17H19FN4O2S2 — CID 7191380

IUPACN-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1nnc(SCC(=O)NC2CCCC2)s1
InChIInChI=1S/C17H19FN4O2S2/c18-12-7-5-11(6-8-12)9-14(23)20-16-21-22-17(26-16)25-10-15(24)19-13-3-1-2-4-13/h5-8,13H,1-4,9-10H2,(H,19,24)(H,20,21,23)
InChIKeyYEWQTASHVQMCFX-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.01
Rot. Bonds7

About N-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)acetamide

N-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)acetamide (PubChem CID 7191380) has the molecular formula C17H19FN4O2S2 and a molecular weight of 394.50 g/mol. Its IUPAC name is N-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)acetamide
PubChem CID7191380
Molecular FormulaC17H19FN4O2S2
Molecular Weight394.50 g/mol
Exact Mass394.09
IUPAC NameN-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1nnc(SCC(=O)NC2CCCC2)s1
InChIInChI=1S/C17H19FN4O2S2/c18-12-7-5-11(6-8-12)9-14(23)20-16-21-22-17(26-16)25-10-15(24)19-13-3-1-2-4-13/h5-8,13H,1-4,9-10H2,(H,19,24)(H,20,21,23)
InChIKeyYEWQTASHVQMCFX-UHFFFAOYSA-N
XLogP3.01
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.01
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)acetamide (CID 7191380) is N-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)Nc1nnc(SCC(=O)NC2CCCC2)s1.
What is the InChIKey of N-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)acetamide?
The InChIKey is YEWQTASHVQMCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2S2/c18-12-7-5-11(6-8-12)9-14(23)20-16-21-22-17(26-16)25-10-15(24)19-13-3-1-2-4-13/h5-8,13H,1-4,9-10H2,(H,19,24)(H,20,21,23).
What are the key properties of N-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)acetamide?
N-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)acetamide has a molecular weight of 394.50 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 7191380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).