N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide

C17H10FN3OS2 — CID 3289389

IUPACN-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide
SMILESO=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1ccccc1F
InChIInChI=1S/C17H10FN3OS2/c18-11-6-2-1-5-10(11)15(22)21-17-20-13(9-23-17)16-19-12-7-3-4-8-14(12)24-16/h1-9H,(H,20,21,22)
InChIKeyQNDLCQVXHHEICT-UHFFFAOYSA-N
MW355.42 g/mol
LogP4.81
Rot. Bonds3

About N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide

N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide (PubChem CID 3289389) has the molecular formula C17H10FN3OS2 and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide
PubChem CID3289389
Molecular FormulaC17H10FN3OS2
Molecular Weight355.42 g/mol
Exact Mass355.02
IUPAC NameN-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide
SMILESO=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1ccccc1F
InChIInChI=1S/C17H10FN3OS2/c18-11-6-2-1-5-10(11)15(22)21-17-20-13(9-23-17)16-19-12-7-3-4-8-14(12)24-16/h1-9H,(H,20,21,22)
InChIKeyQNDLCQVXHHEICT-UHFFFAOYSA-N
XLogP4.81
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Benzamide, N-2-benzothiazolyl-4-nitro-
CID 215271
Benzamide, 4-amino-N-(benzothiazol-2-yl)-
CID 37560
N-2-Benzothiazolylbenzeneacetamide
CID 591403
N-Benzothiazol-2-yl-benzamide
CID 689669
Benzamide, N-2-benzothiazolyl-4-fluoro-
CID 749175
N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 953485
N-(1,3-Benzothiazol-2-YL)-4-tert-butylbenzamide
CID 722343
2-((3-(4-fluorophenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(6-methylbenzo[d]thiazol-2-yl)acetamide
CID 2155389
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylthiophene-2-carboxamide
CID 8892653
N-(1,3-Benzothiazol-2-YL)-2-chlorobenzamide
CID 587340
N-(6-methylbenzo[d]thiazol-2-yl)thiophene-2-carboxamide
CID 739615
(S)-(2-(Ethylsulfonyl)phenyl)(4-(6-fluorobenzo[d]thiazol-2-yl)-2-methylpiperazin-1-yl)methanone
CID 132145761

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide?
The IUPAC name of N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide (CID 3289389) is N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide?
The canonical SMILES for N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide is O=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1ccccc1F.
What is the InChIKey of N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide?
The InChIKey is QNDLCQVXHHEICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FN3OS2/c18-11-6-2-1-5-10(11)15(22)21-17-20-13(9-23-17)16-19-12-7-3-4-8-14(12)24-16/h1-9H,(H,20,21,22).
What are the key properties of N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide?
N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide has a molecular weight of 355.42 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide is sourced from PubChem (CID 3289389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).