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

C15H13N5O3S3 — CID 4617258

IUPACN-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide
SMILESO=C(CSc1nnc(NC(=O)COc2ccccc2)s1)Nc1nccs1
InChIInChI=1S/C15H13N5O3S3/c21-11(8-23-10-4-2-1-3-5-10)17-14-19-20-15(26-14)25-9-12(22)18-13-16-6-7-24-13/h1-7H,8-9H2,(H,16,18,22)(H,17,19,21)
InChIKeyUDBIXTJRPCDSJD-UHFFFAOYSA-N
MW407.50 g/mol
LogP2.74
Rot. Bonds8

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

N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide (PubChem CID 4617258) has the molecular formula C15H13N5O3S3 and a molecular weight of 407.50 g/mol. Its IUPAC name is N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide
PubChem CID4617258
Molecular FormulaC15H13N5O3S3
Molecular Weight407.50 g/mol
Exact Mass407.02
IUPAC NameN-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide
SMILESO=C(CSc1nnc(NC(=O)COc2ccccc2)s1)Nc1nccs1
InChIInChI=1S/C15H13N5O3S3/c21-11(8-23-10-4-2-1-3-5-10)17-14-19-20-15(26-14)25-9-12(22)18-13-16-6-7-24-13/h1-7H,8-9H2,(H,16,18,22)(H,17,19,21)
InChIKeyUDBIXTJRPCDSJD-UHFFFAOYSA-N
XLogP2.74
TPSA106.10 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide?
The IUPAC name of N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide (CID 4617258) is N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide is O=C(CSc1nnc(NC(=O)COc2ccccc2)s1)Nc1nccs1.
What is the InChIKey of N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide?
The InChIKey is UDBIXTJRPCDSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O3S3/c21-11(8-23-10-4-2-1-3-5-10)17-14-19-20-15(26-14)25-9-12(22)18-13-16-6-7-24-13/h1-7H,8-9H2,(H,16,18,22)(H,17,19,21).
What are the key properties of N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide?
N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide has a molecular weight of 407.50 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide is sourced from PubChem (CID 4617258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).