2-benzylsulfanyl-N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)acetamide

C19H20N2O3S2 — CID 42523536

IUPAC2-benzylsulfanyl-N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCOc1cc2s/c(=N\C(=O)CSCc3ccccc3)n(C)c2cc1OC
InChIInChI=1S/C19H20N2O3S2/c1-21-14-9-15(23-2)16(24-3)10-17(14)26-19(21)20-18(22)12-25-11-13-7-5-4-6-8-13/h4-10H,11-12H2,1-3H3/b20-19-
InChIKeyMZBLWQPYZJLFOB-VXPUYCOJSA-N
MW388.51 g/mol
LogP3.62
Rot. Bonds6

About 2-benzylsulfanyl-N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)acetamide

2-benzylsulfanyl-N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)acetamide (PubChem CID 42523536) has the molecular formula C19H20N2O3S2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)acetamide
PubChem CID42523536
Molecular FormulaC19H20N2O3S2
Molecular Weight388.51 g/mol
Exact Mass388.09
IUPAC Name2-benzylsulfanyl-N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCOc1cc2s/c(=N\C(=O)CSCc3ccccc3)n(C)c2cc1OC
InChIInChI=1S/C19H20N2O3S2/c1-21-14-9-15(23-2)16(24-3)10-17(14)26-19(21)20-18(22)12-25-11-13-7-5-4-6-8-13/h4-10H,11-12H2,1-3H3/b20-19-
InChIKeyMZBLWQPYZJLFOB-VXPUYCOJSA-N
XLogP3.62
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide
CID 40509023
N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide
CID 40509040
methyl 2-[5,6-dimethoxy-2-(2-phenylacetyl)imino-1,3-benzothiazol-3-yl]acetate
CID 40509024
methyl 2-[2-(2-benzylsulfanylacetyl)imino-1,3-benzothiazol-3-yl]acetate
CID 42523483
4-benzylsulfanyl-N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)butanamide
CID 42523559
methyl 2-[2-(2-benzylsulfanylacetyl)imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate
CID 42523489
2-(4-methoxy-3-methylphenyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 16848042
N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide
CID 40694545
4-chloro-N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40508845
2-benzylsulfanyl-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)acetamide
CID 42523430
N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(4-methylsulfanylphenyl)acetamide
CID 42525126
2-benzylsulfanyl-N-(6-chloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide
CID 42523506

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)acetamide?
The IUPAC name of 2-benzylsulfanyl-N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)acetamide (CID 42523536) is 2-benzylsulfanyl-N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)acetamide is COc1cc2s/c(=N\C(=O)CSCc3ccccc3)n(C)c2cc1OC.
What is the InChIKey of 2-benzylsulfanyl-N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)acetamide?
The InChIKey is MZBLWQPYZJLFOB-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H20N2O3S2/c1-21-14-9-15(23-2)16(24-3)10-17(14)26-19(21)20-18(22)12-25-11-13-7-5-4-6-8-13/h4-10H,11-12H2,1-3H3/b20-19-.
What are the key properties of 2-benzylsulfanyl-N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)acetamide?
2-benzylsulfanyl-N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)acetamide has a molecular weight of 388.51 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)acetamide is sourced from PubChem (CID 42523536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).