N-(3-chlorophenyl)-1,3-benzothiazole-6-carboxamide

C14H9ClN2OS — CID 712463

IUPACN-(3-chlorophenyl)-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc2ncsc2c1
InChIInChI=1S/C14H9ClN2OS/c15-10-2-1-3-11(7-10)17-14(18)9-4-5-12-13(6-9)19-8-16-12/h1-8H,(H,17,18)
InChIKeyYWYKVHIGDJYQQC-UHFFFAOYSA-N
MW288.76 g/mol
LogP4.20
Rot. Bonds2

About N-(3-chlorophenyl)-1,3-benzothiazole-6-carboxamide

N-(3-chlorophenyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 712463) has the molecular formula C14H9ClN2OS and a molecular weight of 288.76 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1,3-benzothiazole-6-carboxamide
PubChem CID712463
Molecular FormulaC14H9ClN2OS
Molecular Weight288.76 g/mol
Exact Mass288.01
IUPAC NameN-(3-chlorophenyl)-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc2ncsc2c1
InChIInChI=1S/C14H9ClN2OS/c15-10-2-1-3-11(7-10)17-14(18)9-4-5-12-13(6-9)19-8-16-12/h1-8H,(H,17,18)
InChIKeyYWYKVHIGDJYQQC-UHFFFAOYSA-N
XLogP4.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.76
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-1,3-benzothiazole-6-carboxamide (CID 712463) is N-(3-chlorophenyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-1,3-benzothiazole-6-carboxamide is O=C(Nc1cccc(Cl)c1)c1ccc2ncsc2c1.
What is the InChIKey of N-(3-chlorophenyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is YWYKVHIGDJYQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2OS/c15-10-2-1-3-11(7-10)17-14(18)9-4-5-12-13(6-9)19-8-16-12/h1-8H,(H,17,18).
What are the key properties of N-(3-chlorophenyl)-1,3-benzothiazole-6-carboxamide?
N-(3-chlorophenyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 288.76 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 712463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).