N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide

C21H23F2N3O2S — CID 7512031

IUPACN-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide
SMILESCCN(CC)CCN(C(=O)c1ccccc1OC)c1nc2c(F)cc(F)cc2s1
InChIInChI=1S/C21H23F2N3O2S/c1-4-25(5-2)10-11-26(20(27)15-8-6-7-9-17(15)28-3)21-24-19-16(23)12-14(22)13-18(19)29-21/h6-9,12-13H,4-5,10-11H2,1-3H3
InChIKeyFYKHWFCIKVQGII-UHFFFAOYSA-N
MW419.50 g/mol
LogP4.57
Rot. Bonds8

About N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide

N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide (PubChem CID 7512031) has the molecular formula C21H23F2N3O2S and a molecular weight of 419.50 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide
PubChem CID7512031
Molecular FormulaC21H23F2N3O2S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC NameN-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide
SMILESCCN(CC)CCN(C(=O)c1ccccc1OC)c1nc2c(F)cc(F)cc2s1
InChIInChI=1S/C21H23F2N3O2S/c1-4-25(5-2)10-11-26(20(27)15-8-6-7-9-17(15)28-3)21-24-19-16(23)12-14(22)13-18(19)29-21/h6-9,12-13H,4-5,10-11H2,1-3H3
InChIKeyFYKHWFCIKVQGII-UHFFFAOYSA-N
XLogP4.57
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide (CID 7512031) is N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide is CCN(CC)CCN(C(=O)c1ccccc1OC)c1nc2c(F)cc(F)cc2s1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide?
The InChIKey is FYKHWFCIKVQGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O2S/c1-4-25(5-2)10-11-26(20(27)15-8-6-7-9-17(15)28-3)21-24-19-16(23)12-14(22)13-18(19)29-21/h6-9,12-13H,4-5,10-11H2,1-3H3.
What are the key properties of N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide?
N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide has a molecular weight of 419.50 g/mol, XLogP of 4.57, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide is sourced from PubChem (CID 7512031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).