2-(6-chloro-2,2-dioxo-3H-2,1-benzothiazol-1-yl)-N-propan-2-ylacetamide

C12H15ClN2O3S — CID 75395730

IUPAC2-(6-chloro-2,2-dioxo-3H-2,1-benzothiazol-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1c2cc(Cl)ccc2CS1(=O)=O
InChIInChI=1S/C12H15ClN2O3S/c1-8(2)14-12(16)6-15-11-5-10(13)4-3-9(11)7-19(15,17)18/h3-5,8H,6-7H2,1-2H3,(H,14,16)
InChIKeySFLGUGXLRIKISG-UHFFFAOYSA-N
MW302.78 g/mol
LogP1.51
Rot. Bonds3

About 2-(6-chloro-2,2-dioxo-3H-2,1-benzothiazol-1-yl)-N-propan-2-ylacetamide

2-(6-chloro-2,2-dioxo-3H-2,1-benzothiazol-1-yl)-N-propan-2-ylacetamide (PubChem CID 75395730) has the molecular formula C12H15ClN2O3S and a molecular weight of 302.78 g/mol. Its IUPAC name is 2-(6-chloro-2,2-dioxo-3H-2,1-benzothiazol-1-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(6-chloro-2,2-dioxo-3H-2,1-benzothiazol-1-yl)-N-propan-2-ylacetamide
PubChem CID75395730
Molecular FormulaC12H15ClN2O3S
Molecular Weight302.78 g/mol
Exact Mass302.05
IUPAC Name2-(6-chloro-2,2-dioxo-3H-2,1-benzothiazol-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1c2cc(Cl)ccc2CS1(=O)=O
InChIInChI=1S/C12H15ClN2O3S/c1-8(2)14-12(16)6-15-11-5-10(13)4-3-9(11)7-19(15,17)18/h3-5,8H,6-7H2,1-2H3,(H,14,16)
InChIKeySFLGUGXLRIKISG-UHFFFAOYSA-N
XLogP1.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2,2-dioxo-3H-2,1-benzothiazol-1-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(6-chloro-2,2-dioxo-3H-2,1-benzothiazol-1-yl)-N-propan-2-ylacetamide (CID 75395730) is 2-(6-chloro-2,2-dioxo-3H-2,1-benzothiazol-1-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(6-chloro-2,2-dioxo-3H-2,1-benzothiazol-1-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(6-chloro-2,2-dioxo-3H-2,1-benzothiazol-1-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)CN1c2cc(Cl)ccc2CS1(=O)=O.
What is the InChIKey of 2-(6-chloro-2,2-dioxo-3H-2,1-benzothiazol-1-yl)-N-propan-2-ylacetamide?
The InChIKey is SFLGUGXLRIKISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3S/c1-8(2)14-12(16)6-15-11-5-10(13)4-3-9(11)7-19(15,17)18/h3-5,8H,6-7H2,1-2H3,(H,14,16).
What are the key properties of 2-(6-chloro-2,2-dioxo-3H-2,1-benzothiazol-1-yl)-N-propan-2-ylacetamide?
2-(6-chloro-2,2-dioxo-3H-2,1-benzothiazol-1-yl)-N-propan-2-ylacetamide has a molecular weight of 302.78 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2,2-dioxo-3H-2,1-benzothiazol-1-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 75395730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).