2-(1,3-benzothiazol-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)acetamide

C14H12N2OS3 — CID 2707127

IUPAC2-(1,3-benzothiazol-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CSc1nc2ccccc2s1)NCc1cccs1
InChIInChI=1S/C14H12N2OS3/c17-13(15-8-10-4-3-7-18-10)9-19-14-16-11-5-1-2-6-12(11)20-14/h1-7H,8-9H2,(H,15,17)
InChIKeyJAHCLGFMLUABDD-UHFFFAOYSA-N
MW320.46 g/mol
LogP3.77
Rot. Bonds5

About 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)acetamide

2-(1,3-benzothiazol-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 2707127) has the molecular formula C14H12N2OS3 and a molecular weight of 320.46 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID2707127
Molecular FormulaC14H12N2OS3
Molecular Weight320.46 g/mol
Exact Mass320.01
IUPAC Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CSc1nc2ccccc2s1)NCc1cccs1
InChIInChI=1S/C14H12N2OS3/c17-13(15-8-10-4-3-7-18-10)9-19-14-16-11-5-1-2-6-12(11)20-14/h1-7H,8-9H2,(H,15,17)
InChIKeyJAHCLGFMLUABDD-UHFFFAOYSA-N
XLogP3.77
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 9006489
2-(1,3-benzothiazol-2-ylsulfanyl)-N-benzylacetamide
CID 687277
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 78772656
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(1-thiophen-2-ylethyl)acetamide
CID 16539608
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 33065953
2-(1,3-benzothiazol-2-ylsulfanyl)-N-phenacylacetamide
CID 555386
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(6-hydroxyhexyl)acetamide
CID 103919016
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)acetamide
CID 90569421
2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-N-tert-butylacetamide
CID 26456995
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(6-cyclopropylpyrimidin-4-yl)methyl]acetamide
CID 122263862
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 9006598
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,6-dichlorophenyl)acetamide
CID 1371097

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)acetamide (CID 2707127) is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)acetamide is O=C(CSc1nc2ccccc2s1)NCc1cccs1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is JAHCLGFMLUABDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS3/c17-13(15-8-10-4-3-7-18-10)9-19-14-16-11-5-1-2-6-12(11)20-14/h1-7H,8-9H2,(H,15,17).
What are the key properties of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)acetamide?
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 320.46 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 2707127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).