N-(1,3-benzothiazol-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide

C13H15F2N3O2S — CID 107485501

IUPACN-(1,3-benzothiazol-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
SMILESO=C(CN(CCO)CC(F)F)Nc1nc2ccccc2s1
InChIInChI=1S/C13H15F2N3O2S/c14-11(15)7-18(5-6-19)8-12(20)17-13-16-9-3-1-2-4-10(9)21-13/h1-4,11,19H,5-8H2,(H,16,17,20)
InChIKeyRXIPOJVREPCDGR-UHFFFAOYSA-N
MW315.34 g/mol
LogP1.79
Rot. Bonds7

About N-(1,3-benzothiazol-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide

N-(1,3-benzothiazol-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide (PubChem CID 107485501) has the molecular formula C13H15F2N3O2S and a molecular weight of 315.34 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
PubChem CID107485501
Molecular FormulaC13H15F2N3O2S
Molecular Weight315.34 g/mol
Exact Mass315.09
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
SMILESO=C(CN(CCO)CC(F)F)Nc1nc2ccccc2s1
InChIInChI=1S/C13H15F2N3O2S/c14-11(15)7-18(5-6-19)8-12(20)17-13-16-9-3-1-2-4-10(9)21-13/h1-4,11,19H,5-8H2,(H,16,17,20)
InChIKeyRXIPOJVREPCDGR-UHFFFAOYSA-N
XLogP1.79
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-[bis(2-hydroxyethyl)amino]acetamide
CID 60686532
N-(1,3-benzothiazol-2-yl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide
CID 60691529
N-(1,3-benzothiazol-2-yl)-5-hydroxypentanamide
CID 79198900
N-(1,3-benzothiazol-2-yl)-3,3-dimethylbutanamide
CID 710830
3-amino-N-(1,3-benzothiazol-2-yl)-3-sulfanylidenepropanamide
CID 43120469
N-(1,3-benzothiazol-2-yl)-2-nitrosoacetamide
CID 91592084
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
2-[benzenesulfonyl(methyl)amino]-N-(1,3-benzothiazol-2-yl)acetamide
CID 2219880
N-(2,2-difluoroethyl)-1,3-benzothiazol-2-amine
CID 79098958
3-amino-N-(1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 24699724
5-(1,3-benzothiazol-2-ylamino)-3-methyl-5-oxopentanoic acid
CID 55156366
3-(1,3-benzothiazol-2-yl)-1-(2-hydroxyethyl)-1-pentylurea
CID 111119287

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide (CID 107485501) is N-(1,3-benzothiazol-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide is O=C(CN(CCO)CC(F)F)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide?
The InChIKey is RXIPOJVREPCDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O2S/c14-11(15)7-18(5-6-19)8-12(20)17-13-16-9-3-1-2-4-10(9)21-13/h1-4,11,19H,5-8H2,(H,16,17,20).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide?
N-(1,3-benzothiazol-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide has a molecular weight of 315.34 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide is sourced from PubChem (CID 107485501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).