N-(1,3-benzothiazol-2-ylmethyl)-2-[4-(difluoromethoxy)phenyl]acetamide

C17H14F2N2O2S — CID 31101407

IUPACN-(1,3-benzothiazol-2-ylmethyl)-2-[4-(difluoromethoxy)phenyl]acetamide
SMILESO=C(Cc1ccc(OC(F)F)cc1)NCc1nc2ccccc2s1
InChIInChI=1S/C17H14F2N2O2S/c18-17(19)23-12-7-5-11(6-8-12)9-15(22)20-10-16-21-13-3-1-2-4-14(13)24-16/h1-8,17H,9-10H2,(H,20,22)
InChIKeyUPKIWXBNAYOJNZ-UHFFFAOYSA-N
MW348.37 g/mol
LogP3.76
Rot. Bonds6

About N-(1,3-benzothiazol-2-ylmethyl)-2-[4-(difluoromethoxy)phenyl]acetamide

N-(1,3-benzothiazol-2-ylmethyl)-2-[4-(difluoromethoxy)phenyl]acetamide (PubChem CID 31101407) has the molecular formula C17H14F2N2O2S and a molecular weight of 348.37 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-2-[4-(difluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-2-[4-(difluoromethoxy)phenyl]acetamide
PubChem CID31101407
Molecular FormulaC17H14F2N2O2S
Molecular Weight348.37 g/mol
Exact Mass348.07
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-2-[4-(difluoromethoxy)phenyl]acetamide
SMILESO=C(Cc1ccc(OC(F)F)cc1)NCc1nc2ccccc2s1
InChIInChI=1S/C17H14F2N2O2S/c18-17(19)23-12-7-5-11(6-8-12)9-15(22)20-10-16-21-13-3-1-2-4-14(13)24-16/h1-8,17H,9-10H2,(H,20,22)
InChIKeyUPKIWXBNAYOJNZ-UHFFFAOYSA-N
XLogP3.76
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-2-(4-methoxyphenyl)acetamide
CID 18110654
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide
CID 18088007
(1R)-N-(1,3-benzothiazol-2-ylmethyl)-1-[4-(difluoromethoxy)phenyl]-1-phenylmethanamine
CID 8830518
N-(1,3-benzothiazol-2-ylmethyl)-2-(2-methoxyethoxy)acetamide
CID 103601969
N-(1,3-benzothiazol-2-ylmethyl)-2-ethoxyacetamide
CID 60657144
2-phenyl-N-[[2-[[(2-phenylacetyl)amino]methyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]methyl]acetamide
CID 17325456
N-(1,3-benzothiazol-2-ylmethyl)-2-(2,6-dichlorophenyl)acetamide
CID 2557871
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 35881093
2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide
CID 30462211
2-[4-(difluoromethoxy)phenyl]-N-[(2-methylphenyl)methyl]acetamide
CID 33181859
N-(1,3-benzothiazol-2-ylmethyl)-2-(propan-2-ylamino)acetamide
CID 60730154
N-(1,3-benzothiazol-2-ylmethyl)-2-(3-fluorophenoxy)acetamide
CID 18110682

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-2-[4-(difluoromethoxy)phenyl]acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-2-[4-(difluoromethoxy)phenyl]acetamide (CID 31101407) is N-(1,3-benzothiazol-2-ylmethyl)-2-[4-(difluoromethoxy)phenyl]acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-2-[4-(difluoromethoxy)phenyl]acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-2-[4-(difluoromethoxy)phenyl]acetamide is O=C(Cc1ccc(OC(F)F)cc1)NCc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-2-[4-(difluoromethoxy)phenyl]acetamide?
The InChIKey is UPKIWXBNAYOJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O2S/c18-17(19)23-12-7-5-11(6-8-12)9-15(22)20-10-16-21-13-3-1-2-4-14(13)24-16/h1-8,17H,9-10H2,(H,20,22).
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-2-[4-(difluoromethoxy)phenyl]acetamide?
N-(1,3-benzothiazol-2-ylmethyl)-2-[4-(difluoromethoxy)phenyl]acetamide has a molecular weight of 348.37 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-2-[4-(difluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 31101407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).