N-(2,4-difluorophenyl)-1,3-benzothiazole-6-carboxamide

C14H8F2N2OS — CID 2092996

IUPACN-(2,4-difluorophenyl)-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccc2ncsc2c1
InChIInChI=1S/C14H8F2N2OS/c15-9-2-4-11(10(16)6-9)18-14(19)8-1-3-12-13(5-8)20-7-17-12/h1-7H,(H,18,19)
InChIKeyDTDBESZWZLHGPJ-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.83
Rot. Bonds2

About N-(2,4-difluorophenyl)-1,3-benzothiazole-6-carboxamide

N-(2,4-difluorophenyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 2092996) has the molecular formula C14H8F2N2OS and a molecular weight of 290.29 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-1,3-benzothiazole-6-carboxamide
PubChem CID2092996
Molecular FormulaC14H8F2N2OS
Molecular Weight290.29 g/mol
Exact Mass290.03
IUPAC NameN-(2,4-difluorophenyl)-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccc2ncsc2c1
InChIInChI=1S/C14H8F2N2OS/c15-9-2-4-11(10(16)6-9)18-14(19)8-1-3-12-13(5-8)20-7-17-12/h1-7H,(H,18,19)
InChIKeyDTDBESZWZLHGPJ-UHFFFAOYSA-N
XLogP3.83
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-1,3-benzothiazole-6-carboxamide (CID 2092996) is N-(2,4-difluorophenyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-1,3-benzothiazole-6-carboxamide is O=C(Nc1ccc(F)cc1F)c1ccc2ncsc2c1.
What is the InChIKey of N-(2,4-difluorophenyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is DTDBESZWZLHGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2N2OS/c15-9-2-4-11(10(16)6-9)18-14(19)8-1-3-12-13(5-8)20-7-17-12/h1-7H,(H,18,19).
What are the key properties of N-(2,4-difluorophenyl)-1,3-benzothiazole-6-carboxamide?
N-(2,4-difluorophenyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 290.29 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 2092996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).