2-(1,3-benzothiazol-2-ylmethoxy)-N-(5-butyl-1,3,4-thiadiazol-2-yl)acetamide

C16H18N4O2S2 — CID 24648096

IUPAC2-(1,3-benzothiazol-2-ylmethoxy)-N-(5-butyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCCc1nnc(NC(=O)COCc2nc3ccccc3s2)s1
InChIInChI=1S/C16H18N4O2S2/c1-2-3-8-14-19-20-16(24-14)18-13(21)9-22-10-15-17-11-6-4-5-7-12(11)23-15/h4-7H,2-3,8-10H2,1H3,(H,18,20,21)
InChIKeyVAPWKQNQIJQGIP-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.65
Rot. Bonds8

About 2-(1,3-benzothiazol-2-ylmethoxy)-N-(5-butyl-1,3,4-thiadiazol-2-yl)acetamide

2-(1,3-benzothiazol-2-ylmethoxy)-N-(5-butyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 24648096) has the molecular formula C16H18N4O2S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylmethoxy)-N-(5-butyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylmethoxy)-N-(5-butyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID24648096
Molecular FormulaC16H18N4O2S2
Molecular Weight362.48 g/mol
Exact Mass362.09
IUPAC Name2-(1,3-benzothiazol-2-ylmethoxy)-N-(5-butyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCCc1nnc(NC(=O)COCc2nc3ccccc3s2)s1
InChIInChI=1S/C16H18N4O2S2/c1-2-3-8-14-19-20-16(24-14)18-13(21)9-22-10-15-17-11-6-4-5-7-12(11)23-15/h4-7H,2-3,8-10H2,1H3,(H,18,20,21)
InChIKeyVAPWKQNQIJQGIP-UHFFFAOYSA-N
XLogP3.65
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(1,3-benzothiazol-2-ylmethoxy)-N-(5-butyl-1,3,4-thiadiazol-2-yl)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

N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide
CID 7920328
4-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide
CID 16551046
[2-oxo-2-(propylamino)ethyl] 2-(1,3-benzothiazol-2-ylmethoxy)acetate
CID 8519188
2-(1,3-benzothiazol-2-ylmethoxy)-N-(cyclopropylmethyl)acetamide
CID 24667090
2-(1,3-benzothiazol-2-ylmethoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 17472481
2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-phenylpropyl)acetamide
CID 43012669
2-(1,3-benzothiazol-2-ylmethoxy)-N-pyridin-3-ylacetamide
CID 31745788
2-(1,3-benzothiazol-2-ylmethoxy)-N'-[2-(4-ethylphenoxy)acetyl]acetohydrazide
CID 9324359
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(2,3-dimethylphenoxy)acetamide
CID 19178772
3-(1H-benzimidazol-2-yl)-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide
CID 31039066
N-[3-[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]-4-methylphenyl]propanamide
CID 46467466
N-(5-butyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide
CID 26197186

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylmethoxy)-N-(5-butyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylmethoxy)-N-(5-butyl-1,3,4-thiadiazol-2-yl)acetamide (CID 24648096) is 2-(1,3-benzothiazol-2-ylmethoxy)-N-(5-butyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylmethoxy)-N-(5-butyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylmethoxy)-N-(5-butyl-1,3,4-thiadiazol-2-yl)acetamide is CCCCc1nnc(NC(=O)COCc2nc3ccccc3s2)s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylmethoxy)-N-(5-butyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is VAPWKQNQIJQGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S2/c1-2-3-8-14-19-20-16(24-14)18-13(21)9-22-10-15-17-11-6-4-5-7-12(11)23-15/h4-7H,2-3,8-10H2,1H3,(H,18,20,21).
What are the key properties of 2-(1,3-benzothiazol-2-ylmethoxy)-N-(5-butyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(1,3-benzothiazol-2-ylmethoxy)-N-(5-butyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 362.48 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylmethoxy)-N-(5-butyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 24648096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).