2-[1,3-benzothiazol-2-yl(methyl)amino]-N-(3-propan-2-yloxypropyl)acetamide

C16H23N3O2S — CID 90605357

IUPAC2-[1,3-benzothiazol-2-yl(methyl)amino]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)CN(C)c1nc2ccccc2s1
InChIInChI=1S/C16H23N3O2S/c1-12(2)21-10-6-9-17-15(20)11-19(3)16-18-13-7-4-5-8-14(13)22-16/h4-5,7-8,12H,6,9-11H2,1-3H3,(H,17,20)
InChIKeyNLAAVJNGZFICSM-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.66
Rot. Bonds8

About 2-[1,3-benzothiazol-2-yl(methyl)amino]-N-(3-propan-2-yloxypropyl)acetamide

2-[1,3-benzothiazol-2-yl(methyl)amino]-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 90605357) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 2-[1,3-benzothiazol-2-yl(methyl)amino]-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-[1,3-benzothiazol-2-yl(methyl)amino]-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID90605357
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name2-[1,3-benzothiazol-2-yl(methyl)amino]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)CN(C)c1nc2ccccc2s1
InChIInChI=1S/C16H23N3O2S/c1-12(2)21-10-6-9-17-15(20)11-19(3)16-18-13-7-4-5-8-14(13)22-16/h4-5,7-8,12H,6,9-11H2,1-3H3,(H,17,20)
InChIKeyNLAAVJNGZFICSM-UHFFFAOYSA-N
XLogP2.66
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[1,3-benzothiazol-2-yl(methyl)amino]-N-(3-propan-2-yloxypropyl)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-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]-N-(3-methoxypropyl)acetamide
CID 90605768
N-(4-acetamidophenyl)-2-[1,3-benzothiazol-2-yl(methyl)amino]acetamide
CID 90605410
2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]-N-(3-methylbutyl)acetamide
CID 90605563
2-(dimethylamino)-N-(3-propan-2-yloxypropyl)acetamide
CID 156560781
2-[1,3-benzothiazol-2-yl(methyl)amino]-N-methoxy-N-methylacetamide
CID 90605517
2-[1,3-benzothiazol-2-yl(methyl)amino]-N-cyclohexylacetamide
CID 90605360
2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[3-(1-phenylethoxy)propyl]acetamide
CID 46557284
2-[N-(dimethylsulfamoyl)anilino]-N-(3-propan-2-yloxypropyl)acetamide
CID 17200342
2-[benzenesulfonyl(1,3-benzothiazol-2-yl)amino]-N-(2-methoxyethyl)acetamide
CID 9383386
2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]-N-(2-phenylethyl)acetamide
CID 90605583
2-[1,3-benzothiazol-2-yl(methyl)amino]-N-(4-methylsulfonylphenyl)acetamide
CID 71790247
1-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3-(3-ethoxypropyl)-1-methylurea
CID 94515003

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-benzothiazol-2-yl(methyl)amino]-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-[1,3-benzothiazol-2-yl(methyl)amino]-N-(3-propan-2-yloxypropyl)acetamide (CID 90605357) is 2-[1,3-benzothiazol-2-yl(methyl)amino]-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-[1,3-benzothiazol-2-yl(methyl)amino]-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-[1,3-benzothiazol-2-yl(methyl)amino]-N-(3-propan-2-yloxypropyl)acetamide is CC(C)OCCCNC(=O)CN(C)c1nc2ccccc2s1.
What is the InChIKey of 2-[1,3-benzothiazol-2-yl(methyl)amino]-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is NLAAVJNGZFICSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-12(2)21-10-6-9-17-15(20)11-19(3)16-18-13-7-4-5-8-14(13)22-16/h4-5,7-8,12H,6,9-11H2,1-3H3,(H,17,20).
What are the key properties of 2-[1,3-benzothiazol-2-yl(methyl)amino]-N-(3-propan-2-yloxypropyl)acetamide?
2-[1,3-benzothiazol-2-yl(methyl)amino]-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 321.45 g/mol, XLogP of 2.66, 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-yl(methyl)amino]-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 90605357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).