4-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]pentanamide

C17H19N3O2S — CID 120559538

IUPAC4-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]pentanamide
SMILESCC(N)CCC(=O)NCc1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C17H19N3O2S/c1-11(18)6-9-16(21)19-10-12-7-8-14(22-12)17-20-13-4-2-3-5-15(13)23-17/h2-5,7-8,11H,6,9-10,18H2,1H3,(H,19,21)
InChIKeyISOGJVSWUOIDJV-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.30
Rot. Bonds6

About 4-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]pentanamide

4-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]pentanamide (PubChem CID 120559538) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 4-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]pentanamide
PubChem CID120559538
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name4-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]pentanamide
SMILESCC(N)CCC(=O)NCc1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C17H19N3O2S/c1-11(18)6-9-16(21)19-10-12-7-8-14(22-12)17-20-13-4-2-3-5-15(13)23-17/h2-5,7-8,11H,6,9-10,18H2,1H3,(H,19,21)
InChIKeyISOGJVSWUOIDJV-UHFFFAOYSA-N
XLogP3.30
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]pentanamide 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-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]acetamide
CID 46456159
1-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(1-hydroxypropan-2-yl)urea
CID 110892932
1-[5-(1,3-benzothiazol-2-yl)furan-2-yl]propan-2-amine
CID 170891330
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 46464153
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 24586287
2,2,2-trifluoroethyl N-[2-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylamino]-2-oxoethyl]carbamate
CID 78905322
3-[(4-acetylphenyl)sulfonylamino]-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]propanamide
CID 55489306
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-(3-fluorophenyl)acetamide
CID 24586235
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 55485370
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 52545504
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-N'-(2-cyanoethyl)-N'-phenylbutanediamide
CID 56505041
1-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]cyclohexane-1-carboxamide
CID 119275805

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]pentanamide?
The IUPAC name of 4-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]pentanamide (CID 120559538) is 4-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]pentanamide.
What is the SMILES notation for 4-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]pentanamide?
The canonical SMILES for 4-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]pentanamide is CC(N)CCC(=O)NCc1ccc(-c2nc3ccccc3s2)o1.
What is the InChIKey of 4-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]pentanamide?
The InChIKey is ISOGJVSWUOIDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-11(18)6-9-16(21)19-10-12-7-8-14(22-12)17-20-13-4-2-3-5-15(13)23-17/h2-5,7-8,11H,6,9-10,18H2,1H3,(H,19,21).
What are the key properties of 4-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]pentanamide?
4-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]pentanamide has a molecular weight of 329.43 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]pentanamide is sourced from PubChem (CID 120559538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).