N-[2-(1,2-benzothiazol-5-ylamino)-2-oxoethyl]-3,5-difluorobenzamide

C16H11F2N3O2S — CID 99792518

IUPACN-[2-(1,2-benzothiazol-5-ylamino)-2-oxoethyl]-3,5-difluorobenzamide
SMILESO=C(CNC(=O)c1cc(F)cc(F)c1)Nc1ccc2sncc2c1
InChIInChI=1S/C16H11F2N3O2S/c17-11-3-9(4-12(18)6-11)16(23)19-8-15(22)21-13-1-2-14-10(5-13)7-20-24-14/h1-7H,8H2,(H,19,23)(H,21,22)
InChIKeyGAZCVBRTZJHBGK-UHFFFAOYSA-N
MW347.35 g/mol
LogP2.94
Rot. Bonds4

About N-[2-(1,2-benzothiazol-5-ylamino)-2-oxoethyl]-3,5-difluorobenzamide

N-[2-(1,2-benzothiazol-5-ylamino)-2-oxoethyl]-3,5-difluorobenzamide (PubChem CID 99792518) has the molecular formula C16H11F2N3O2S and a molecular weight of 347.35 g/mol. Its IUPAC name is N-[2-(1,2-benzothiazol-5-ylamino)-2-oxoethyl]-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-[2-(1,2-benzothiazol-5-ylamino)-2-oxoethyl]-3,5-difluorobenzamide
PubChem CID99792518
Molecular FormulaC16H11F2N3O2S
Molecular Weight347.35 g/mol
Exact Mass347.05
IUPAC NameN-[2-(1,2-benzothiazol-5-ylamino)-2-oxoethyl]-3,5-difluorobenzamide
SMILESO=C(CNC(=O)c1cc(F)cc(F)c1)Nc1ccc2sncc2c1
InChIInChI=1S/C16H11F2N3O2S/c17-11-3-9(4-12(18)6-11)16(23)19-8-15(22)21-13-1-2-14-10(5-13)7-20-24-14/h1-7H,8H2,(H,19,23)(H,21,22)
InChIKeyGAZCVBRTZJHBGK-UHFFFAOYSA-N
XLogP2.94
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2-benzothiazol-5-ylamino)-2-oxoethyl]-3,5-difluorobenzamide?
The IUPAC name of N-[2-(1,2-benzothiazol-5-ylamino)-2-oxoethyl]-3,5-difluorobenzamide (CID 99792518) is N-[2-(1,2-benzothiazol-5-ylamino)-2-oxoethyl]-3,5-difluorobenzamide.
What is the SMILES notation for N-[2-(1,2-benzothiazol-5-ylamino)-2-oxoethyl]-3,5-difluorobenzamide?
The canonical SMILES for N-[2-(1,2-benzothiazol-5-ylamino)-2-oxoethyl]-3,5-difluorobenzamide is O=C(CNC(=O)c1cc(F)cc(F)c1)Nc1ccc2sncc2c1.
What is the InChIKey of N-[2-(1,2-benzothiazol-5-ylamino)-2-oxoethyl]-3,5-difluorobenzamide?
The InChIKey is GAZCVBRTZJHBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3O2S/c17-11-3-9(4-12(18)6-11)16(23)19-8-15(22)21-13-1-2-14-10(5-13)7-20-24-14/h1-7H,8H2,(H,19,23)(H,21,22).
What are the key properties of N-[2-(1,2-benzothiazol-5-ylamino)-2-oxoethyl]-3,5-difluorobenzamide?
N-[2-(1,2-benzothiazol-5-ylamino)-2-oxoethyl]-3,5-difluorobenzamide has a molecular weight of 347.35 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2-benzothiazol-5-ylamino)-2-oxoethyl]-3,5-difluorobenzamide is sourced from PubChem (CID 99792518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).