3-(2-oxo-1,3-benzothiazol-3-yl)-N-(thiophen-2-ylmethyl)propanamide

C15H14N2O2S2 — CID 767767

IUPAC3-(2-oxo-1,3-benzothiazol-3-yl)-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCn1c(=O)sc2ccccc21)NCc1cccs1
InChIInChI=1S/C15H14N2O2S2/c18-14(16-10-11-4-3-9-20-11)7-8-17-12-5-1-2-6-13(12)21-15(17)19/h1-6,9H,7-8,10H2,(H,16,18)
InChIKeyHDJYJXRCWNVONN-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.83
Rot. Bonds5

About 3-(2-oxo-1,3-benzothiazol-3-yl)-N-(thiophen-2-ylmethyl)propanamide

3-(2-oxo-1,3-benzothiazol-3-yl)-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 767767) has the molecular formula C15H14N2O2S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-(2-oxo-1,3-benzothiazol-3-yl)-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2-oxo-1,3-benzothiazol-3-yl)-N-(thiophen-2-ylmethyl)propanamide
PubChem CID767767
Molecular FormulaC15H14N2O2S2
Molecular Weight318.42 g/mol
Exact Mass318.05
IUPAC Name3-(2-oxo-1,3-benzothiazol-3-yl)-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCn1c(=O)sc2ccccc21)NCc1cccs1
InChIInChI=1S/C15H14N2O2S2/c18-14(16-10-11-4-3-9-20-11)7-8-17-12-5-1-2-6-13(12)21-15(17)19/h1-6,9H,7-8,10H2,(H,16,18)
InChIKeyHDJYJXRCWNVONN-UHFFFAOYSA-N
XLogP2.83
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1,3-benzothiazol-3-yl)-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-(2-oxo-1,3-benzothiazol-3-yl)-N-(thiophen-2-ylmethyl)propanamide (CID 767767) is 3-(2-oxo-1,3-benzothiazol-3-yl)-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(2-oxo-1,3-benzothiazol-3-yl)-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-(2-oxo-1,3-benzothiazol-3-yl)-N-(thiophen-2-ylmethyl)propanamide is O=C(CCn1c(=O)sc2ccccc21)NCc1cccs1.
What is the InChIKey of 3-(2-oxo-1,3-benzothiazol-3-yl)-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is HDJYJXRCWNVONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S2/c18-14(16-10-11-4-3-9-20-11)7-8-17-12-5-1-2-6-13(12)21-15(17)19/h1-6,9H,7-8,10H2,(H,16,18).
What are the key properties of 3-(2-oxo-1,3-benzothiazol-3-yl)-N-(thiophen-2-ylmethyl)propanamide?
3-(2-oxo-1,3-benzothiazol-3-yl)-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 318.42 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1,3-benzothiazol-3-yl)-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 767767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).