N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylpropanamide

C11H11ClN2OS — CID 742053

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C11H11ClN2OS/c1-6(2)10(15)14-11-13-8-4-3-7(12)5-9(8)16-11/h3-6H,1-2H3,(H,13,14,15)
InChIKeyILSASIBJTOMQEA-UHFFFAOYSA-N
MW254.74 g/mol
LogP3.54
Rot. Bonds2

About N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylpropanamide

N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylpropanamide (PubChem CID 742053) has the molecular formula C11H11ClN2OS and a molecular weight of 254.74 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-2-methylpropanamide
PubChem CID742053
Molecular FormulaC11H11ClN2OS
Molecular Weight254.74 g/mol
Exact Mass254.03
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C11H11ClN2OS/c1-6(2)10(15)14-11-13-8-4-3-7(12)5-9(8)16-11/h3-6H,1-2H3,(H,13,14,15)
InChIKeyILSASIBJTOMQEA-UHFFFAOYSA-N
XLogP3.54
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylpropanamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylpropanamide (CID 742053) is N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylpropanamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylpropanamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylpropanamide is CC(C)C(=O)Nc1nc2ccc(Cl)cc2s1.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylpropanamide?
The InChIKey is ILSASIBJTOMQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2OS/c1-6(2)10(15)14-11-13-8-4-3-7(12)5-9(8)16-11/h3-6H,1-2H3,(H,13,14,15).
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylpropanamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylpropanamide has a molecular weight of 254.74 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylpropanamide is sourced from PubChem (CID 742053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).