N-[2-(3,4-difluorophenyl)-1,3-benzothiazol-5-yl]-1,3-thiazole-5-carboxamide

C17H9F2N3OS2 — CID 130270204

IUPACN-[2-(3,4-difluorophenyl)-1,3-benzothiazol-5-yl]-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc2sc(-c3ccc(F)c(F)c3)nc2c1)c1cncs1
InChIInChI=1S/C17H9F2N3OS2/c18-11-3-1-9(5-12(11)19)17-22-13-6-10(2-4-14(13)25-17)21-16(23)15-7-20-8-24-15/h1-8H,(H,21,23)
InChIKeySAWIWXRWMCNCLE-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.95
Rot. Bonds3

About N-[2-(3,4-difluorophenyl)-1,3-benzothiazol-5-yl]-1,3-thiazole-5-carboxamide

N-[2-(3,4-difluorophenyl)-1,3-benzothiazol-5-yl]-1,3-thiazole-5-carboxamide (PubChem CID 130270204) has the molecular formula C17H9F2N3OS2 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[2-(3,4-difluorophenyl)-1,3-benzothiazol-5-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-difluorophenyl)-1,3-benzothiazol-5-yl]-1,3-thiazole-5-carboxamide
PubChem CID130270204
Molecular FormulaC17H9F2N3OS2
Molecular Weight373.41 g/mol
Exact Mass373.02
IUPAC NameN-[2-(3,4-difluorophenyl)-1,3-benzothiazol-5-yl]-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc2sc(-c3ccc(F)c(F)c3)nc2c1)c1cncs1
InChIInChI=1S/C17H9F2N3OS2/c18-11-3-1-9(5-12(11)19)17-22-13-6-10(2-4-14(13)25-17)21-16(23)15-7-20-8-24-15/h1-8H,(H,21,23)
InChIKeySAWIWXRWMCNCLE-UHFFFAOYSA-N
XLogP4.95
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[2-(3,4-difluorophenyl)-1,3-benzothiazol-5-yl]pyrrolidine-1-carboxamide
CID 130247750
N-(4-fluorophenyl)-1,3-thiazole-5-carboxamide
CID 5299224
2-(3,4-difluorophenyl)-1,3-benzothiazole-6-carboxylic acid
CID 107470320
2-chloro-5-(1,3-thiazole-5-carbonylamino)benzoic acid
CID 113222078
2-(3,4-difluorophenyl)-N-[3-(hydroxymethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 110018847
N-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]pyrrolidine-1-carboxamide
CID 130270096
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,4-difluorobenzamide
CID 26173797
N-(6-bromo-3-pyridinyl)-1,3-thiazole-5-carboxamide
CID 103789386
4-fluoro-2-(1,3-thiazole-5-carbonylamino)benzoic acid
CID 114030924
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2,3,4,5,6-pentafluorobenzamide
CID 5067994
N-(2-methyl-1,3-benzothiazol-5-yl)thiophene-2-carboxamide
CID 110442376
propan-2-yl N-[2-[2-fluoro-5-(1,3-thiazole-5-carbonylamino)phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate
CID 86295754

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluorophenyl)-1,3-benzothiazol-5-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(3,4-difluorophenyl)-1,3-benzothiazol-5-yl]-1,3-thiazole-5-carboxamide (CID 130270204) is N-[2-(3,4-difluorophenyl)-1,3-benzothiazol-5-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(3,4-difluorophenyl)-1,3-benzothiazol-5-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(3,4-difluorophenyl)-1,3-benzothiazol-5-yl]-1,3-thiazole-5-carboxamide is O=C(Nc1ccc2sc(-c3ccc(F)c(F)c3)nc2c1)c1cncs1.
What is the InChIKey of N-[2-(3,4-difluorophenyl)-1,3-benzothiazol-5-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is SAWIWXRWMCNCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F2N3OS2/c18-11-3-1-9(5-12(11)19)17-22-13-6-10(2-4-14(13)25-17)21-16(23)15-7-20-8-24-15/h1-8H,(H,21,23).
What are the key properties of N-[2-(3,4-difluorophenyl)-1,3-benzothiazol-5-yl]-1,3-thiazole-5-carboxamide?
N-[2-(3,4-difluorophenyl)-1,3-benzothiazol-5-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 373.41 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluorophenyl)-1,3-benzothiazol-5-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 130270204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).