2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)acetamide

C15H14N2OS3 — CID 26550500

IUPAC2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CSC1=Nc2ccccc2CS1)NCc1cccs1
InChIInChI=1S/C15H14N2OS3/c18-14(16-8-12-5-3-7-19-12)10-21-15-17-13-6-2-1-4-11(13)9-20-15/h1-7H,8-10H2,(H,16,18)
InChIKeyHEKYFHFTHWEVAT-UHFFFAOYSA-N
MW334.49 g/mol
LogP4.03
Rot. Bonds4

About 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)acetamide

2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 26550500) has the molecular formula C15H14N2OS3 and a molecular weight of 334.49 g/mol. Its IUPAC name is 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID26550500
Molecular FormulaC15H14N2OS3
Molecular Weight334.49 g/mol
Exact Mass334.03
IUPAC Name2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CSC1=Nc2ccccc2CS1)NCc1cccs1
InChIInChI=1S/C15H14N2OS3/c18-14(16-8-12-5-3-7-19-12)10-21-15-17-13-6-2-1-4-11(13)9-20-15/h1-7H,8-10H2,(H,16,18)
InChIKeyHEKYFHFTHWEVAT-UHFFFAOYSA-N
XLogP4.03
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzothiazol-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)acetamide
CID 2707127
4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]sulfanylbenzoic acid
CID 43242269
2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 102630549
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 5177686
2-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 40518719
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 5110121
2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 42139030
2-fluoro-N-(thiophen-2-ylmethyl)acetamide
CID 150063829
2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 78765703
2-(2-benzylquinazolin-4-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 1442547
N-[5-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
CID 3220521

Frequently Asked Questions

What is the IUPAC name of 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)acetamide (CID 26550500) is 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)acetamide is O=C(CSC1=Nc2ccccc2CS1)NCc1cccs1.
What is the InChIKey of 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is HEKYFHFTHWEVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS3/c18-14(16-8-12-5-3-7-19-12)10-21-15-17-13-6-2-1-4-11(13)9-20-15/h1-7H,8-10H2,(H,16,18).
What are the key properties of 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)acetamide?
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 334.49 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 26550500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).