2-fluoro-N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide

C14H10FN5O2S3 — CID 3274534

IUPAC2-fluoro-N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(CSc1nnc(NC(=O)c2ccccc2F)s1)Nc1nccs1
InChIInChI=1S/C14H10FN5O2S3/c15-9-4-2-1-3-8(9)11(22)18-13-19-20-14(25-13)24-7-10(21)17-12-16-5-6-23-12/h1-6H,7H2,(H,16,17,21)(H,18,19,22)
InChIKeyURIVRKGTFIKDQX-UHFFFAOYSA-N
MW395.47 g/mol
LogP3.12
Rot. Bonds6

About 2-fluoro-N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide

2-fluoro-N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 3274534) has the molecular formula C14H10FN5O2S3 and a molecular weight of 395.47 g/mol. Its IUPAC name is 2-fluoro-N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID3274534
Molecular FormulaC14H10FN5O2S3
Molecular Weight395.47 g/mol
Exact Mass395.00
IUPAC Name2-fluoro-N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(CSc1nnc(NC(=O)c2ccccc2F)s1)Nc1nccs1
InChIInChI=1S/C14H10FN5O2S3/c15-9-4-2-1-3-8(9)11(22)18-13-19-20-14(25-13)24-7-10(21)17-12-16-5-6-23-12/h1-6H,7H2,(H,16,17,21)(H,18,19,22)
InChIKeyURIVRKGTFIKDQX-UHFFFAOYSA-N
XLogP3.12
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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 2-fluoro-N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 2-fluoro-N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide (CID 3274534) is 2-fluoro-N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide is O=C(CSc1nnc(NC(=O)c2ccccc2F)s1)Nc1nccs1.
What is the InChIKey of 2-fluoro-N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is URIVRKGTFIKDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN5O2S3/c15-9-4-2-1-3-8(9)11(22)18-13-19-20-14(25-13)24-7-10(21)17-12-16-5-6-23-12/h1-6H,7H2,(H,16,17,21)(H,18,19,22).
What are the key properties of 2-fluoro-N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide?
2-fluoro-N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 395.47 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 3274534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).