N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]propanamide

C15H19N3O3S — CID 4985754

IUPACN-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]propanamide
SMILESCCC(=O)/N=c1\sc2cc(NC(C)=O)ccc2n1CCOC
InChIInChI=1S/C15H19N3O3S/c1-4-14(20)17-15-18(7-8-21-3)12-6-5-11(16-10(2)19)9-13(12)22-15/h5-6,9H,4,7-8H2,1-3H3,(H,16,19)/b17-15-
InChIKeyWIXIFPGIWQJXRE-ICFOKQHNSA-N
MW321.40 g/mol
LogP2.14
Rot. Bonds5

About N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]propanamide

N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]propanamide (PubChem CID 4985754) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]propanamide.

Molecular Properties

Compound NameN-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]propanamide
PubChem CID4985754
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC NameN-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]propanamide
SMILESCCC(=O)/N=c1\sc2cc(NC(C)=O)ccc2n1CCOC
InChIInChI=1S/C15H19N3O3S/c1-4-14(20)17-15-18(7-8-21-3)12-6-5-11(16-10(2)19)9-13(12)22-15/h5-6,9H,4,7-8H2,1-3H3,(H,16,19)/b17-15-
InChIKeyWIXIFPGIWQJXRE-ICFOKQHNSA-N
XLogP2.14
TPSA72.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]propanamide?
The IUPAC name of N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]propanamide (CID 4985754) is N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]propanamide.
What is the SMILES notation for N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]propanamide?
The canonical SMILES for N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]propanamide is CCC(=O)/N=c1\sc2cc(NC(C)=O)ccc2n1CCOC.
What is the InChIKey of N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]propanamide?
The InChIKey is WIXIFPGIWQJXRE-ICFOKQHNSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-4-14(20)17-15-18(7-8-21-3)12-6-5-11(16-10(2)19)9-13(12)22-15/h5-6,9H,4,7-8H2,1-3H3,(H,16,19)/b17-15-.
What are the key properties of N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]propanamide?
N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]propanamide has a molecular weight of 321.40 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]propanamide is sourced from PubChem (CID 4985754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).