2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide

C18H16F2N2O2S2 — CID 30462211

IUPAC2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide
SMILESO=C(CSCc1nc2ccccc2s1)NCc1ccccc1OC(F)F
InChIInChI=1S/C18H16F2N2O2S2/c19-18(20)24-14-7-3-1-5-12(14)9-21-16(23)10-25-11-17-22-13-6-2-4-8-15(13)26-17/h1-8,18H,9-11H2,(H,21,23)
InChIKeyRYRMDINFIQLEMM-UHFFFAOYSA-N
MW394.47 g/mol
LogP4.45
Rot. Bonds8

About 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide

2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide (PubChem CID 30462211) has the molecular formula C18H16F2N2O2S2 and a molecular weight of 394.47 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide
PubChem CID30462211
Molecular FormulaC18H16F2N2O2S2
Molecular Weight394.47 g/mol
Exact Mass394.06
IUPAC Name2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide
SMILESO=C(CSCc1nc2ccccc2s1)NCc1ccccc1OC(F)F
InChIInChI=1S/C18H16F2N2O2S2/c19-18(20)24-14-7-3-1-5-12(14)9-21-16(23)10-25-11-17-22-13-6-2-4-8-15(13)26-17/h1-8,18H,9-11H2,(H,21,23)
InChIKeyRYRMDINFIQLEMM-UHFFFAOYSA-N
XLogP4.45
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide
CID 37486020
N-(1,3-benzothiazol-2-ylmethyl)-2-[4-(difluoromethoxy)phenyl]acetamide
CID 31101407
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide
CID 41368833
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(difluoromethoxy)benzamide
CID 46823890
2-(1,3-benzothiazol-2-ylmethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 18283867
2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[3-(1-phenylethoxy)propyl]acetamide
CID 46557284
2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 30284047
1-(1,3-benzothiazol-2-ylmethyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 46493869
(2R)-2-[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]amino]-N,4-dimethylpentanamide
CID 51954510
N-(1,3-benzothiazol-2-ylmethyl)-2-propan-2-ylsulfanylacetamide
CID 31848340
2-benzhydryloxy-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide
CID 30253696
5-[[2-(difluoromethoxy)phenyl]methylamino]-3-methyl-5-oxopentanoic acid
CID 62965388

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide (CID 30462211) is 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide is O=C(CSCc1nc2ccccc2s1)NCc1ccccc1OC(F)F.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide?
The InChIKey is RYRMDINFIQLEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O2S2/c19-18(20)24-14-7-3-1-5-12(14)9-21-16(23)10-25-11-17-22-13-6-2-4-8-15(13)26-17/h1-8,18H,9-11H2,(H,21,23).
What are the key properties of 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide?
2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide has a molecular weight of 394.47 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 30462211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).