2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide

C15H19N3O2S — CID 71984388

IUPAC2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide
SMILESCc1cc(CC(=O)NCCc2nc3c(s2)CCCC3)no1
InChIInChI=1S/C15H19N3O2S/c1-10-8-11(18-20-10)9-14(19)16-7-6-15-17-12-4-2-3-5-13(12)21-15/h8H,2-7,9H2,1H3,(H,16,19)
InChIKeyXLZXWTPKAVTKMY-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.22
Rot. Bonds5

About 2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide

2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide (PubChem CID 71984388) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide
PubChem CID71984388
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide
SMILESCc1cc(CC(=O)NCCc2nc3c(s2)CCCC3)no1
InChIInChI=1S/C15H19N3O2S/c1-10-8-11(18-20-10)9-14(19)16-7-6-15-17-12-4-2-3-5-13(12)21-15/h8H,2-7,9H2,1H3,(H,16,19)
InChIKeyXLZXWTPKAVTKMY-UHFFFAOYSA-N
XLogP2.22
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide (CID 71984388) is 2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide is Cc1cc(CC(=O)NCCc2nc3c(s2)CCCC3)no1.
What is the InChIKey of 2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide?
The InChIKey is XLZXWTPKAVTKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10-8-11(18-20-10)9-14(19)16-7-6-15-17-12-4-2-3-5-13(12)21-15/h8H,2-7,9H2,1H3,(H,16,19).
What are the key properties of 2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide?
2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide has a molecular weight of 305.40 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 71984388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).