N-(2-amino-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)-2-methylpropanamide

C17H16ClN3O2S — CID 91680717

IUPACN-(2-amino-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2nc(N)sc2c1
InChIInChI=1S/C17H16ClN3O2S/c1-17(2,23-12-6-3-10(18)4-7-12)15(22)20-11-5-8-13-14(9-11)24-16(19)21-13/h3-9H,1-2H3,(H2,19,21)(H,20,22)
InChIKeyNIWOMCLESXHIEM-UHFFFAOYSA-N
MW361.85 g/mol
LogP4.33
Rot. Bonds4

About N-(2-amino-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)-2-methylpropanamide

N-(2-amino-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)-2-methylpropanamide (PubChem CID 91680717) has the molecular formula C17H16ClN3O2S and a molecular weight of 361.85 g/mol. Its IUPAC name is N-(2-amino-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-amino-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)-2-methylpropanamide
PubChem CID91680717
Molecular FormulaC17H16ClN3O2S
Molecular Weight361.85 g/mol
Exact Mass361.07
IUPAC NameN-(2-amino-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2nc(N)sc2c1
InChIInChI=1S/C17H16ClN3O2S/c1-17(2,23-12-6-3-10(18)4-7-12)15(22)20-11-5-8-13-14(9-11)24-16(19)21-13/h3-9H,1-2H3,(H2,19,21)(H,20,22)
InChIKeyNIWOMCLESXHIEM-UHFFFAOYSA-N
XLogP4.33
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)-2-methylpropanamide?
The IUPAC name of N-(2-amino-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)-2-methylpropanamide (CID 91680717) is N-(2-amino-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)-2-methylpropanamide.
What is the SMILES notation for N-(2-amino-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)-2-methylpropanamide?
The canonical SMILES for N-(2-amino-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)-2-methylpropanamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2nc(N)sc2c1.
What is the InChIKey of N-(2-amino-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)-2-methylpropanamide?
The InChIKey is NIWOMCLESXHIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2S/c1-17(2,23-12-6-3-10(18)4-7-12)15(22)20-11-5-8-13-14(9-11)24-16(19)21-13/h3-9H,1-2H3,(H2,19,21)(H,20,22).
What are the key properties of N-(2-amino-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)-2-methylpropanamide?
N-(2-amino-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)-2-methylpropanamide has a molecular weight of 361.85 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)-2-methylpropanamide is sourced from PubChem (CID 91680717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).