2,3-difluoro-6-methoxy-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)benzamide

C17H18F2N2O2S — CID 118790657

IUPAC2,3-difluoro-6-methoxy-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)benzamide
SMILESCOc1ccc(F)c(F)c1C(=O)N(C)Cc1nc2c(s1)CCCC2
InChIInChI=1S/C17H18F2N2O2S/c1-21(9-14-20-11-5-3-4-6-13(11)24-14)17(22)15-12(23-2)8-7-10(18)16(15)19/h7-8H,3-6,9H2,1-2H3
InChIKeyBJGXODWUNZOOAE-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.58
Rot. Bonds4

About 2,3-difluoro-6-methoxy-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)benzamide

2,3-difluoro-6-methoxy-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)benzamide (PubChem CID 118790657) has the molecular formula C17H18F2N2O2S and a molecular weight of 352.41 g/mol. Its IUPAC name is 2,3-difluoro-6-methoxy-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2,3-difluoro-6-methoxy-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)benzamide
PubChem CID118790657
Molecular FormulaC17H18F2N2O2S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC Name2,3-difluoro-6-methoxy-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)benzamide
SMILESCOc1ccc(F)c(F)c1C(=O)N(C)Cc1nc2c(s1)CCCC2
InChIInChI=1S/C17H18F2N2O2S/c1-21(9-14-20-11-5-3-4-6-13(11)24-14)17(22)15-12(23-2)8-7-10(18)16(15)19/h7-8H,3-6,9H2,1-2H3
InChIKeyBJGXODWUNZOOAE-UHFFFAOYSA-N
XLogP3.58
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-6-methoxy-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)benzamide?
The IUPAC name of 2,3-difluoro-6-methoxy-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)benzamide (CID 118790657) is 2,3-difluoro-6-methoxy-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)benzamide.
What is the SMILES notation for 2,3-difluoro-6-methoxy-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)benzamide?
The canonical SMILES for 2,3-difluoro-6-methoxy-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)benzamide is COc1ccc(F)c(F)c1C(=O)N(C)Cc1nc2c(s1)CCCC2.
What is the InChIKey of 2,3-difluoro-6-methoxy-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)benzamide?
The InChIKey is BJGXODWUNZOOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O2S/c1-21(9-14-20-11-5-3-4-6-13(11)24-14)17(22)15-12(23-2)8-7-10(18)16(15)19/h7-8H,3-6,9H2,1-2H3.
What are the key properties of 2,3-difluoro-6-methoxy-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)benzamide?
2,3-difluoro-6-methoxy-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)benzamide has a molecular weight of 352.41 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-6-methoxy-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)benzamide is sourced from PubChem (CID 118790657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).