N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)propanamide

C12H14N2O3S — CID 2150742

IUPACN-(4,7-dimethoxy-1,3-benzothiazol-2-yl)propanamide
SMILESCCC(=O)Nc1nc2c(OC)ccc(OC)c2s1
InChIInChI=1S/C12H14N2O3S/c1-4-9(15)13-12-14-10-7(16-2)5-6-8(17-3)11(10)18-12/h5-6H,4H2,1-3H3,(H,13,14,15)
InChIKeyRDEKWINQUSCZMI-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.66
Rot. Bonds4

About N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)propanamide

N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)propanamide (PubChem CID 2150742) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(4,7-dimethoxy-1,3-benzothiazol-2-yl)propanamide
PubChem CID2150742
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC NameN-(4,7-dimethoxy-1,3-benzothiazol-2-yl)propanamide
SMILESCCC(=O)Nc1nc2c(OC)ccc(OC)c2s1
InChIInChI=1S/C12H14N2O3S/c1-4-9(15)13-12-14-10-7(16-2)5-6-8(17-3)11(10)18-12/h5-6H,4H2,1-3H3,(H,13,14,15)
InChIKeyRDEKWINQUSCZMI-UHFFFAOYSA-N
XLogP2.66
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)propanamide?
The IUPAC name of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)propanamide (CID 2150742) is N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)propanamide is CCC(=O)Nc1nc2c(OC)ccc(OC)c2s1.
What is the InChIKey of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)propanamide?
The InChIKey is RDEKWINQUSCZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-4-9(15)13-12-14-10-7(16-2)5-6-8(17-3)11(10)18-12/h5-6H,4H2,1-3H3,(H,13,14,15).
What are the key properties of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)propanamide?
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 266.32 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 2150742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).