2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide

C17H17N3O2S2 — CID 37486020

IUPAC2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide
SMILESCOc1ncccc1CNC(=O)CSCc1nc2ccccc2s1
InChIInChI=1S/C17H17N3O2S2/c1-22-17-12(5-4-8-18-17)9-19-15(21)10-23-11-16-20-13-6-2-3-7-14(13)24-16/h2-8H,9-11H2,1H3,(H,19,21)
InChIKeyFFUZGZXDZGELOG-UHFFFAOYSA-N
MW359.48 g/mol
LogP3.25
Rot. Bonds7

About 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide

2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide (PubChem CID 37486020) has the molecular formula C17H17N3O2S2 and a molecular weight of 359.48 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide
PubChem CID37486020
Molecular FormulaC17H17N3O2S2
Molecular Weight359.48 g/mol
Exact Mass359.08
IUPAC Name2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide
SMILESCOc1ncccc1CNC(=O)CSCc1nc2ccccc2s1
InChIInChI=1S/C17H17N3O2S2/c1-22-17-12(5-4-8-18-17)9-19-15(21)10-23-11-16-20-13-6-2-3-7-14(13)24-16/h2-8H,9-11H2,1H3,(H,19,21)
InChIKeyFFUZGZXDZGELOG-UHFFFAOYSA-N
XLogP3.25
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide
CID 30462211
2-(1,3-benzothiazol-2-yl)-1-(2-methoxy-3-pyridinyl)ethanone
CID 115580215
2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(1-methoxypropan-2-yl)acetamide
CID 51144184
2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 55386745
N-(1,3-benzothiazol-2-ylmethyl)-2-(4-methoxyphenyl)acetamide
CID 18110654
2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 30284047
2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[3-(1-phenylethoxy)propyl]acetamide
CID 46557284
N-[2-[(2-methoxy-3-pyridinyl)methylamino]-2-oxoethyl]-2-phenylacetamide
CID 37486176
3-[(2-methoxy-3-pyridinyl)methylamino]-2-methyl-3-oxopropanoic acid
CID 114898125
(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-(2,6-dimethylphenoxy)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide
CID 37486076

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide (CID 37486020) is 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide is COc1ncccc1CNC(=O)CSCc1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide?
The InChIKey is FFUZGZXDZGELOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S2/c1-22-17-12(5-4-8-18-17)9-19-15(21)10-23-11-16-20-13-6-2-3-7-14(13)24-16/h2-8H,9-11H2,1H3,(H,19,21).
What are the key properties of 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide?
2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide has a molecular weight of 359.48 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 37486020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).