2-fluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide

C14H13FN2OS — CID 3934970

IUPAC2-fluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
SMILESO=C(Nc1nc2c(s1)CCCC2)c1ccccc1F
InChIInChI=1S/C14H13FN2OS/c15-10-6-2-1-5-9(10)13(18)17-14-16-11-7-3-4-8-12(11)19-14/h1-2,5-6H,3-4,7-8H2,(H,16,17,18)
InChIKeyUWCXQVUMFMYIOS-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.41
Rot. Bonds2

About 2-fluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide

2-fluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide (PubChem CID 3934970) has the molecular formula C14H13FN2OS and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-fluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
PubChem CID3934970
Molecular FormulaC14H13FN2OS
Molecular Weight276.34 g/mol
Exact Mass276.07
IUPAC Name2-fluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
SMILESO=C(Nc1nc2c(s1)CCCC2)c1ccccc1F
InChIInChI=1S/C14H13FN2OS/c15-10-6-2-1-5-9(10)13(18)17-14-16-11-7-3-4-8-12(11)19-14/h1-2,5-6H,3-4,7-8H2,(H,16,17,18)
InChIKeyUWCXQVUMFMYIOS-UHFFFAOYSA-N
XLogP3.41
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 2-fluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide (CID 3934970) is 2-fluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 2-fluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 2-fluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide is O=C(Nc1nc2c(s1)CCCC2)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is UWCXQVUMFMYIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2OS/c15-10-6-2-1-5-9(10)13(18)17-14-16-11-7-3-4-8-12(11)19-14/h1-2,5-6H,3-4,7-8H2,(H,16,17,18).
What are the key properties of 2-fluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide?
2-fluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 276.34 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 3934970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).