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

C8H5ClN2OS — CID 22283388

IUPAC4-chloro-1,3-benzothiazole-2-carboxamide
SMILESNC(=O)c1nc2c(Cl)cccc2s1
InChIInChI=1S/C8H5ClN2OS/c9-4-2-1-3-5-6(4)11-8(13-5)7(10)12/h1-3H,(H2,10,12)
InChIKeySRQGSKWAZRWNJQ-UHFFFAOYSA-N
MW212.66 g/mol
LogP2.05
Rot. Bonds1

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

4-chloro-1,3-benzothiazole-2-carboxamide (PubChem CID 22283388) has the molecular formula C8H5ClN2OS and a molecular weight of 212.66 g/mol. Its IUPAC name is 4-chloro-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-1,3-benzothiazole-2-carboxamide
PubChem CID22283388
Molecular FormulaC8H5ClN2OS
Molecular Weight212.66 g/mol
Exact Mass211.98
IUPAC Name4-chloro-1,3-benzothiazole-2-carboxamide
SMILESNC(=O)c1nc2c(Cl)cccc2s1
InChIInChI=1S/C8H5ClN2OS/c9-4-2-1-3-5-6(4)11-8(13-5)7(10)12/h1-3H,(H2,10,12)
InChIKeySRQGSKWAZRWNJQ-UHFFFAOYSA-N
XLogP2.05
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.66
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,3-benzothiazole-2-carboxamide?
The IUPAC name of 4-chloro-1,3-benzothiazole-2-carboxamide (CID 22283388) is 4-chloro-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for 4-chloro-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for 4-chloro-1,3-benzothiazole-2-carboxamide is NC(=O)c1nc2c(Cl)cccc2s1.
What is the InChIKey of 4-chloro-1,3-benzothiazole-2-carboxamide?
The InChIKey is SRQGSKWAZRWNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2OS/c9-4-2-1-3-5-6(4)11-8(13-5)7(10)12/h1-3H,(H2,10,12).
What are the key properties of 4-chloro-1,3-benzothiazole-2-carboxamide?
4-chloro-1,3-benzothiazole-2-carboxamide has a molecular weight of 212.66 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 22283388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).