4-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-N-methylbutanamide

C17H18N2O2S — CID 112761133

IUPAC4-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-N-methylbutanamide
SMILESCN(Cc1ccco1)C(=O)CCCc1nc2ccccc2s1
InChIInChI=1S/C17H18N2O2S/c1-19(12-13-6-5-11-21-13)17(20)10-4-9-16-18-14-7-2-3-8-15(14)22-16/h2-3,5-8,11H,4,9-10,12H2,1H3
InChIKeyPRJYZLFOBOVZQF-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.87
Rot. Bonds6

About 4-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-N-methylbutanamide

4-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-N-methylbutanamide (PubChem CID 112761133) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-N-methylbutanamide.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-N-methylbutanamide
PubChem CID112761133
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name4-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-N-methylbutanamide
SMILESCN(Cc1ccco1)C(=O)CCCc1nc2ccccc2s1
InChIInChI=1S/C17H18N2O2S/c1-19(12-13-6-5-11-21-13)17(20)10-4-9-16-18-14-7-2-3-8-15(14)22-16/h2-3,5-8,11H,4,9-10,12H2,1H3
InChIKeyPRJYZLFOBOVZQF-UHFFFAOYSA-N
XLogP3.87
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-N-methylbutanamide 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

5-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]pentanamide
CID 78821884
N-(3-amino-2,2-dimethylpropyl)-4-(1,3-benzothiazol-2-yl)-N-methylbutanamide
CID 119656653
N-(1,3-benzothiazol-2-ylmethyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 36746928
N-(1,3-benzothiazol-2-ylmethyl)-3-chloro-N-methylpropanamide
CID 43346972
3-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,3-dihydroxy-N-methylpropanamide
CID 110879959
3-(1,3-benzothiazol-2-yl)propyl-methylcarbamic acid
CID 21273429
5-bromo-N-(furan-2-ylmethyl)-N-methylpentanamide
CID 107908125
4-(1,3-benzothiazol-2-yl)-N-butyl-N-ethylbutanamide
CID 78783707
3-(1,3-benzothiazol-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 78771008
5-(1,3-benzothiazol-2-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpentanamide
CID 78800940
4-(1,3-benzothiazol-2-yl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]butanamide
CID 9219216
3-[4-(1,3-benzothiazol-2-yl)butanoyl-ethylamino]propanoic acid
CID 119190925

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-N-methylbutanamide?
The IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-N-methylbutanamide (CID 112761133) is 4-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-N-methylbutanamide.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-N-methylbutanamide?
The canonical SMILES for 4-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-N-methylbutanamide is CN(Cc1ccco1)C(=O)CCCc1nc2ccccc2s1.
What is the InChIKey of 4-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-N-methylbutanamide?
The InChIKey is PRJYZLFOBOVZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-19(12-13-6-5-11-21-13)17(20)10-4-9-16-18-14-7-2-3-8-15(14)22-16/h2-3,5-8,11H,4,9-10,12H2,1H3.
What are the key properties of 4-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-N-methylbutanamide?
4-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-N-methylbutanamide has a molecular weight of 314.41 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-N-methylbutanamide is sourced from PubChem (CID 112761133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).