2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-N-phenylacetamide

C13H13N3O2S2 — CID 651375

IUPAC2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-N-phenylacetamide
SMILESO=C(CSCC(=O)Nc1nccs1)Nc1ccccc1
InChIInChI=1S/C13H13N3O2S2/c17-11(15-10-4-2-1-3-5-10)8-19-9-12(18)16-13-14-6-7-20-13/h1-7H,8-9H2,(H,15,17)(H,14,16,18)
InChIKeyHOGLTQGCCSAEGX-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.45
Rot. Bonds6

About 2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-N-phenylacetamide

2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-N-phenylacetamide (PubChem CID 651375) has the molecular formula C13H13N3O2S2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-N-phenylacetamide
PubChem CID651375
Molecular FormulaC13H13N3O2S2
Molecular Weight307.40 g/mol
Exact Mass307.04
IUPAC Name2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-N-phenylacetamide
SMILESO=C(CSCC(=O)Nc1nccs1)Nc1ccccc1
InChIInChI=1S/C13H13N3O2S2/c17-11(15-10-4-2-1-3-5-10)8-19-9-12(18)16-13-14-6-7-20-13/h1-7H,8-9H2,(H,15,17)(H,14,16,18)
InChIKeyHOGLTQGCCSAEGX-UHFFFAOYSA-N
XLogP2.45
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-N-phenylacetamide?
The IUPAC name of 2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-N-phenylacetamide (CID 651375) is 2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-N-phenylacetamide?
The canonical SMILES for 2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-N-phenylacetamide is O=C(CSCC(=O)Nc1nccs1)Nc1ccccc1.
What is the InChIKey of 2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-N-phenylacetamide?
The InChIKey is HOGLTQGCCSAEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S2/c17-11(15-10-4-2-1-3-5-10)8-19-9-12(18)16-13-14-6-7-20-13/h1-7H,8-9H2,(H,15,17)(H,14,16,18).
What are the key properties of 2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-N-phenylacetamide?
2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-N-phenylacetamide has a molecular weight of 307.40 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-N-phenylacetamide is sourced from PubChem (CID 651375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).