2-(1,3-benzothiazol-2-ylsulfanyl)-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)acetamide

C16H19N3O3S2 — CID 2530304

IUPAC2-(1,3-benzothiazol-2-ylsulfanyl)-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
SMILESCN(CC(=O)N1CCOCC1)C(=O)CSc1nc2ccccc2s1
InChIInChI=1S/C16H19N3O3S2/c1-18(10-14(20)19-6-8-22-9-7-19)15(21)11-23-16-17-12-4-2-3-5-13(12)24-16/h2-5H,6-11H2,1H3
InChIKeyZOELMQHDGGKUMG-UHFFFAOYSA-N
MW365.48 g/mol
LogP1.71
Rot. Bonds5

About 2-(1,3-benzothiazol-2-ylsulfanyl)-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)acetamide

2-(1,3-benzothiazol-2-ylsulfanyl)-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)acetamide (PubChem CID 2530304) has the molecular formula C16H19N3O3S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
PubChem CID2530304
Molecular FormulaC16H19N3O3S2
Molecular Weight365.48 g/mol
Exact Mass365.09
IUPAC Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
SMILESCN(CC(=O)N1CCOCC1)C(=O)CSc1nc2ccccc2s1
InChIInChI=1S/C16H19N3O3S2/c1-18(10-14(20)19-6-8-22-9-7-19)15(21)11-23-16-17-12-4-2-3-5-13(12)24-16/h2-5H,6-11H2,1H3
InChIKeyZOELMQHDGGKUMG-UHFFFAOYSA-N
XLogP1.71
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)acetamide (CID 2530304) is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)acetamide is CN(CC(=O)N1CCOCC1)C(=O)CSc1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)acetamide?
The InChIKey is ZOELMQHDGGKUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S2/c1-18(10-14(20)19-6-8-22-9-7-19)15(21)11-23-16-17-12-4-2-3-5-13(12)24-16/h2-5H,6-11H2,1H3.
What are the key properties of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)acetamide?
2-(1,3-benzothiazol-2-ylsulfanyl)-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)acetamide has a molecular weight of 365.48 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)acetamide is sourced from PubChem (CID 2530304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).