N-(2-oxo-4,5,6,7-tetrahydro-3H-1,3-benzothiazol-6-yl)propanamide

C10H14N2O2S — CID 101014141

IUPACN-(2-oxo-4,5,6,7-tetrahydro-3H-1,3-benzothiazol-6-yl)propanamide
SMILESCCC(=O)NC1CCc2[nH]c(=O)sc2C1
InChIInChI=1S/C10H14N2O2S/c1-2-9(13)11-6-3-4-7-8(5-6)15-10(14)12-7/h6H,2-5H2,1H3,(H,11,13)(H,12,14)
InChIKeyABMQODAPAMKGEB-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.82
Rot. Bonds2

About N-(2-oxo-4,5,6,7-tetrahydro-3H-1,3-benzothiazol-6-yl)propanamide

N-(2-oxo-4,5,6,7-tetrahydro-3H-1,3-benzothiazol-6-yl)propanamide (PubChem CID 101014141) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is N-(2-oxo-4,5,6,7-tetrahydro-3H-1,3-benzothiazol-6-yl)propanamide.

Molecular Properties

Compound NameN-(2-oxo-4,5,6,7-tetrahydro-3H-1,3-benzothiazol-6-yl)propanamide
PubChem CID101014141
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC NameN-(2-oxo-4,5,6,7-tetrahydro-3H-1,3-benzothiazol-6-yl)propanamide
SMILESCCC(=O)NC1CCc2[nH]c(=O)sc2C1
InChIInChI=1S/C10H14N2O2S/c1-2-9(13)11-6-3-4-7-8(5-6)15-10(14)12-7/h6H,2-5H2,1H3,(H,11,13)(H,12,14)
InChIKeyABMQODAPAMKGEB-UHFFFAOYSA-N
XLogP0.82
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-4,5,6,7-tetrahydro-3H-1,3-benzothiazol-6-yl)propanamide?
The IUPAC name of N-(2-oxo-4,5,6,7-tetrahydro-3H-1,3-benzothiazol-6-yl)propanamide (CID 101014141) is N-(2-oxo-4,5,6,7-tetrahydro-3H-1,3-benzothiazol-6-yl)propanamide.
What is the SMILES notation for N-(2-oxo-4,5,6,7-tetrahydro-3H-1,3-benzothiazol-6-yl)propanamide?
The canonical SMILES for N-(2-oxo-4,5,6,7-tetrahydro-3H-1,3-benzothiazol-6-yl)propanamide is CCC(=O)NC1CCc2[nH]c(=O)sc2C1.
What is the InChIKey of N-(2-oxo-4,5,6,7-tetrahydro-3H-1,3-benzothiazol-6-yl)propanamide?
The InChIKey is ABMQODAPAMKGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-2-9(13)11-6-3-4-7-8(5-6)15-10(14)12-7/h6H,2-5H2,1H3,(H,11,13)(H,12,14).
What are the key properties of N-(2-oxo-4,5,6,7-tetrahydro-3H-1,3-benzothiazol-6-yl)propanamide?
N-(2-oxo-4,5,6,7-tetrahydro-3H-1,3-benzothiazol-6-yl)propanamide has a molecular weight of 226.30 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-4,5,6,7-tetrahydro-3H-1,3-benzothiazol-6-yl)propanamide is sourced from PubChem (CID 101014141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).