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

C16H24N2O3S — CID 56789818

IUPAC2-(oxolan-2-ylmethoxy)-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide
SMILESCC(NC(=O)COCC1CCCO1)c1nc2c(s1)CCCC2
InChIInChI=1S/C16H24N2O3S/c1-11(16-18-13-6-2-3-7-14(13)22-16)17-15(19)10-20-9-12-5-4-8-21-12/h11-12H,2-10H2,1H3,(H,17,19)
InChIKeySMTRYHISJQEMML-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.39
Rot. Bonds6

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

2-(oxolan-2-ylmethoxy)-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide (PubChem CID 56789818) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethoxy)-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(oxolan-2-ylmethoxy)-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide
PubChem CID56789818
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name2-(oxolan-2-ylmethoxy)-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide
SMILESCC(NC(=O)COCC1CCCO1)c1nc2c(s1)CCCC2
InChIInChI=1S/C16H24N2O3S/c1-11(16-18-13-6-2-3-7-14(13)22-16)17-15(19)10-20-9-12-5-4-8-21-12/h11-12H,2-10H2,1H3,(H,17,19)
InChIKeySMTRYHISJQEMML-UHFFFAOYSA-N
XLogP2.39
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethoxy)-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(oxolan-2-ylmethoxy)-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide (CID 56789818) is 2-(oxolan-2-ylmethoxy)-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(oxolan-2-ylmethoxy)-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(oxolan-2-ylmethoxy)-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide is CC(NC(=O)COCC1CCCO1)c1nc2c(s1)CCCC2.
What is the InChIKey of 2-(oxolan-2-ylmethoxy)-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide?
The InChIKey is SMTRYHISJQEMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-11(16-18-13-6-2-3-7-14(13)22-16)17-15(19)10-20-9-12-5-4-8-21-12/h11-12H,2-10H2,1H3,(H,17,19).
What are the key properties of 2-(oxolan-2-ylmethoxy)-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide?
2-(oxolan-2-ylmethoxy)-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide has a molecular weight of 324.45 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethoxy)-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 56789818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).