2-chloro-N-methyl-1,3-benzothiazole-4-carboxamide

C9H7ClN2OS — CID 119090275

IUPAC2-chloro-N-methyl-1,3-benzothiazole-4-carboxamide
SMILESCNC(=O)c1cccc2sc(Cl)nc12
InChIInChI=1S/C9H7ClN2OS/c1-11-8(13)5-3-2-4-6-7(5)12-9(10)14-6/h2-4H,1H3,(H,11,13)
InChIKeyBEHZXURRPCSPKC-UHFFFAOYSA-N
MW226.69 g/mol
LogP2.31
Rot. Bonds1

About 2-chloro-N-methyl-1,3-benzothiazole-4-carboxamide

2-chloro-N-methyl-1,3-benzothiazole-4-carboxamide (PubChem CID 119090275) has the molecular formula C9H7ClN2OS and a molecular weight of 226.69 g/mol. Its IUPAC name is 2-chloro-N-methyl-1,3-benzothiazole-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-methyl-1,3-benzothiazole-4-carboxamide
PubChem CID119090275
Molecular FormulaC9H7ClN2OS
Molecular Weight226.69 g/mol
Exact Mass226.00
IUPAC Name2-chloro-N-methyl-1,3-benzothiazole-4-carboxamide
SMILESCNC(=O)c1cccc2sc(Cl)nc12
InChIInChI=1S/C9H7ClN2OS/c1-11-8(13)5-3-2-4-6-7(5)12-9(10)14-6/h2-4H,1H3,(H,11,13)
InChIKeyBEHZXURRPCSPKC-UHFFFAOYSA-N
XLogP2.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.69
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-1,3-benzothiazole-4-carboxamide?
The IUPAC name of 2-chloro-N-methyl-1,3-benzothiazole-4-carboxamide (CID 119090275) is 2-chloro-N-methyl-1,3-benzothiazole-4-carboxamide.
What is the SMILES notation for 2-chloro-N-methyl-1,3-benzothiazole-4-carboxamide?
The canonical SMILES for 2-chloro-N-methyl-1,3-benzothiazole-4-carboxamide is CNC(=O)c1cccc2sc(Cl)nc12.
What is the InChIKey of 2-chloro-N-methyl-1,3-benzothiazole-4-carboxamide?
The InChIKey is BEHZXURRPCSPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2OS/c1-11-8(13)5-3-2-4-6-7(5)12-9(10)14-6/h2-4H,1H3,(H,11,13).
What are the key properties of 2-chloro-N-methyl-1,3-benzothiazole-4-carboxamide?
2-chloro-N-methyl-1,3-benzothiazole-4-carboxamide has a molecular weight of 226.69 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-1,3-benzothiazole-4-carboxamide is sourced from PubChem (CID 119090275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).