2-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C17H18N4O4S2 — CID 8883221

IUPAC2-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCOc1ccc2nc(NC(=O)CSCC(=O)Nc3cc(C)on3)sc2c1
InChIInChI=1S/C17H18N4O4S2/c1-3-24-11-4-5-12-13(7-11)27-17(18-12)20-16(23)9-26-8-15(22)19-14-6-10(2)25-21-14/h4-7H,3,8-9H2,1-2H3,(H,18,20,23)(H,19,21,22)
InChIKeyNNGDNAHHEDXURU-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.30
Rot. Bonds8

About 2-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 8883221) has the molecular formula C17H18N4O4S2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID8883221
Molecular FormulaC17H18N4O4S2
Molecular Weight406.49 g/mol
Exact Mass406.08
IUPAC Name2-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCOc1ccc2nc(NC(=O)CSCC(=O)Nc3cc(C)on3)sc2c1
InChIInChI=1S/C17H18N4O4S2/c1-3-24-11-4-5-12-13(7-11)27-17(18-12)20-16(23)9-26-8-15(22)19-14-6-10(2)25-21-14/h4-7H,3,8-9H2,1-2H3,(H,18,20,23)(H,19,21,22)
InChIKeyNNGDNAHHEDXURU-UHFFFAOYSA-N
XLogP3.30
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 8883221) is 2-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is CCOc1ccc2nc(NC(=O)CSCC(=O)Nc3cc(C)on3)sc2c1.
What is the InChIKey of 2-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is NNGDNAHHEDXURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4S2/c1-3-24-11-4-5-12-13(7-11)27-17(18-12)20-16(23)9-26-8-15(22)19-14-6-10(2)25-21-14/h4-7H,3,8-9H2,1-2H3,(H,18,20,23)(H,19,21,22).
What are the key properties of 2-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 406.49 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 8883221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).