N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2,6-difluorobenzamide

C14H6Cl2F2N2OS — CID 2150759

IUPACN-(4,7-dichloro-1,3-benzothiazol-2-yl)-2,6-difluorobenzamide
SMILESO=C(Nc1nc2c(Cl)ccc(Cl)c2s1)c1c(F)cccc1F
InChIInChI=1S/C14H6Cl2F2N2OS/c15-6-4-5-7(16)12-11(6)19-14(22-12)20-13(21)10-8(17)2-1-3-9(10)18/h1-5H,(H,19,20,21)
InChIKeyKQHGIMVBSGMOSC-UHFFFAOYSA-N
MW359.18 g/mol
LogP5.13
Rot. Bonds2

About N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2,6-difluorobenzamide

N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2,6-difluorobenzamide (PubChem CID 2150759) has the molecular formula C14H6Cl2F2N2OS and a molecular weight of 359.18 g/mol. Its IUPAC name is N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-(4,7-dichloro-1,3-benzothiazol-2-yl)-2,6-difluorobenzamide
PubChem CID2150759
Molecular FormulaC14H6Cl2F2N2OS
Molecular Weight359.18 g/mol
Exact Mass357.95
IUPAC NameN-(4,7-dichloro-1,3-benzothiazol-2-yl)-2,6-difluorobenzamide
SMILESO=C(Nc1nc2c(Cl)ccc(Cl)c2s1)c1c(F)cccc1F
InChIInChI=1S/C14H6Cl2F2N2OS/c15-6-4-5-7(16)12-11(6)19-14(22-12)20-13(21)10-8(17)2-1-3-9(10)18/h1-5H,(H,19,20,21)
InChIKeyKQHGIMVBSGMOSC-UHFFFAOYSA-N
XLogP5.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.18
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2,6-difluorobenzamide?
The IUPAC name of N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2,6-difluorobenzamide (CID 2150759) is N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2,6-difluorobenzamide.
What is the SMILES notation for N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2,6-difluorobenzamide?
The canonical SMILES for N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2,6-difluorobenzamide is O=C(Nc1nc2c(Cl)ccc(Cl)c2s1)c1c(F)cccc1F.
What is the InChIKey of N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2,6-difluorobenzamide?
The InChIKey is KQHGIMVBSGMOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Cl2F2N2OS/c15-6-4-5-7(16)12-11(6)19-14(22-12)20-13(21)10-8(17)2-1-3-9(10)18/h1-5H,(H,19,20,21).
What are the key properties of N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2,6-difluorobenzamide?
N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2,6-difluorobenzamide has a molecular weight of 359.18 g/mol, XLogP of 5.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2,6-difluorobenzamide is sourced from PubChem (CID 2150759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).