N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

C13H12N4O2S3 — CID 2166682

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCOc1ccc2nc(NC(=O)CSc3nnc(C)s3)sc2c1
InChIInChI=1S/C13H12N4O2S3/c1-7-16-17-13(21-7)20-6-11(18)15-12-14-9-4-3-8(19-2)5-10(9)22-12/h3-5H,6H2,1-2H3,(H,14,15,18)
InChIKeyFNPLWMMHAGXHDZ-UHFFFAOYSA-N
MW352.47 g/mol
LogP3.20
Rot. Bonds5

About N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (PubChem CID 2166682) has the molecular formula C13H12N4O2S3 and a molecular weight of 352.47 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
PubChem CID2166682
Molecular FormulaC13H12N4O2S3
Molecular Weight352.47 g/mol
Exact Mass352.01
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCOc1ccc2nc(NC(=O)CSc3nnc(C)s3)sc2c1
InChIInChI=1S/C13H12N4O2S3/c1-7-16-17-13(21-7)20-6-11(18)15-12-14-9-4-3-8(19-2)5-10(9)22-12/h3-5H,6H2,1-2H3,(H,14,15,18)
InChIKeyFNPLWMMHAGXHDZ-UHFFFAOYSA-N
XLogP3.20
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.47
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (CID 2166682) is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is COc1ccc2nc(NC(=O)CSc3nnc(C)s3)sc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is FNPLWMMHAGXHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S3/c1-7-16-17-13(21-7)20-6-11(18)15-12-14-9-4-3-8(19-2)5-10(9)22-12/h3-5H,6H2,1-2H3,(H,14,15,18).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 352.47 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2166682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).