N-(5-chloro-1,3-benzothiazol-4-yl)-2-methoxy-2-methylpropanamide

C12H13ClN2O2S — CID 103028826

IUPACN-(5-chloro-1,3-benzothiazol-4-yl)-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)Nc1c(Cl)ccc2scnc12
InChIInChI=1S/C12H13ClN2O2S/c1-12(2,17-3)11(16)15-9-7(13)4-5-8-10(9)14-6-18-8/h4-6H,1-3H3,(H,15,16)
InChIKeySXHKUUBJADPVIJ-UHFFFAOYSA-N
MW284.77 g/mol
LogP3.31
Rot. Bonds3

About N-(5-chloro-1,3-benzothiazol-4-yl)-2-methoxy-2-methylpropanamide

N-(5-chloro-1,3-benzothiazol-4-yl)-2-methoxy-2-methylpropanamide (PubChem CID 103028826) has the molecular formula C12H13ClN2O2S and a molecular weight of 284.77 g/mol. Its IUPAC name is N-(5-chloro-1,3-benzothiazol-4-yl)-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(5-chloro-1,3-benzothiazol-4-yl)-2-methoxy-2-methylpropanamide
PubChem CID103028826
Molecular FormulaC12H13ClN2O2S
Molecular Weight284.77 g/mol
Exact Mass284.04
IUPAC NameN-(5-chloro-1,3-benzothiazol-4-yl)-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)Nc1c(Cl)ccc2scnc12
InChIInChI=1S/C12H13ClN2O2S/c1-12(2,17-3)11(16)15-9-7(13)4-5-8-10(9)14-6-18-8/h4-6H,1-3H3,(H,15,16)
InChIKeySXHKUUBJADPVIJ-UHFFFAOYSA-N
XLogP3.31
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.77
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1,3-benzothiazol-4-yl)-2-methoxy-2-methylpropanamide?
The IUPAC name of N-(5-chloro-1,3-benzothiazol-4-yl)-2-methoxy-2-methylpropanamide (CID 103028826) is N-(5-chloro-1,3-benzothiazol-4-yl)-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-(5-chloro-1,3-benzothiazol-4-yl)-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-(5-chloro-1,3-benzothiazol-4-yl)-2-methoxy-2-methylpropanamide is COC(C)(C)C(=O)Nc1c(Cl)ccc2scnc12.
What is the InChIKey of N-(5-chloro-1,3-benzothiazol-4-yl)-2-methoxy-2-methylpropanamide?
The InChIKey is SXHKUUBJADPVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2S/c1-12(2,17-3)11(16)15-9-7(13)4-5-8-10(9)14-6-18-8/h4-6H,1-3H3,(H,15,16).
What are the key properties of N-(5-chloro-1,3-benzothiazol-4-yl)-2-methoxy-2-methylpropanamide?
N-(5-chloro-1,3-benzothiazol-4-yl)-2-methoxy-2-methylpropanamide has a molecular weight of 284.77 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1,3-benzothiazol-4-yl)-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 103028826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).