N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide

C13H13N3O2S2 — CID 767827

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
SMILESO=C(CCn1c(=O)sc2ccccc21)NC1=NCCS1
InChIInChI=1S/C13H13N3O2S2/c17-11(15-12-14-6-8-19-12)5-7-16-9-3-1-2-4-10(9)20-13(16)18/h1-4H,5-8H2,(H,14,15,17)
InChIKeyOMPATJVURHLQPW-UHFFFAOYSA-N
MW307.40 g/mol
LogP1.67
Rot. Bonds3

About N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide (PubChem CID 767827) has the molecular formula C13H13N3O2S2 and a molecular weight of 307.40 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
PubChem CID767827
Molecular FormulaC13H13N3O2S2
Molecular Weight307.40 g/mol
Exact Mass307.04
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
SMILESO=C(CCn1c(=O)sc2ccccc21)NC1=NCCS1
InChIInChI=1S/C13H13N3O2S2/c17-11(15-12-14-6-8-19-12)5-7-16-9-3-1-2-4-10(9)20-13(16)18/h1-4H,5-8H2,(H,14,15,17)
InChIKeyOMPATJVURHLQPW-UHFFFAOYSA-N
XLogP1.67
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide (CID 767827) is N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide is O=C(CCn1c(=O)sc2ccccc21)NC1=NCCS1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
The InChIKey is OMPATJVURHLQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S2/c17-11(15-12-14-6-8-19-12)5-7-16-9-3-1-2-4-10(9)20-13(16)18/h1-4H,5-8H2,(H,14,15,17).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide has a molecular weight of 307.40 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide is sourced from PubChem (CID 767827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).