N-(5-benzyl-1,3-thiazol-2-yl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide

C20H15FN2OS2 — CID 16562126

IUPACN-(5-benzyl-1,3-thiazol-2-yl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)Nc2ncc(Cc3ccccc3)s2)sc2cccc(F)c12
InChIInChI=1S/C20H15FN2OS2/c1-12-17-15(21)8-5-9-16(17)26-18(12)19(24)23-20-22-11-14(25-20)10-13-6-3-2-4-7-13/h2-9,11H,10H2,1H3,(H,22,23,24)
InChIKeyXNIMMZLVKGDXCR-UHFFFAOYSA-N
MW382.49 g/mol
LogP5.65
Rot. Bonds4

About N-(5-benzyl-1,3-thiazol-2-yl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide

N-(5-benzyl-1,3-thiazol-2-yl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide (PubChem CID 16562126) has the molecular formula C20H15FN2OS2 and a molecular weight of 382.49 g/mol. Its IUPAC name is N-(5-benzyl-1,3-thiazol-2-yl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3-thiazol-2-yl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
PubChem CID16562126
Molecular FormulaC20H15FN2OS2
Molecular Weight382.49 g/mol
Exact Mass382.06
IUPAC NameN-(5-benzyl-1,3-thiazol-2-yl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)Nc2ncc(Cc3ccccc3)s2)sc2cccc(F)c12
InChIInChI=1S/C20H15FN2OS2/c1-12-17-15(21)8-5-9-16(17)26-18(12)19(24)23-20-22-11-14(25-20)10-13-6-3-2-4-7-13/h2-9,11H,10H2,1H3,(H,22,23,24)
InChIKeyXNIMMZLVKGDXCR-UHFFFAOYSA-N
XLogP5.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.49
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-benzyl-1,3-thiazol-2-yl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide 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-benzyl-1,3-thiazol-2-yl)-2-chloro-6-fluorobenzamide
CID 51152768
4-fluoro-N-(2-fluorophenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 8777289
3-chloro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
CID 980427
N-(5-benzyl-1,3-thiazol-2-yl)-3,5-dimethoxybenzamide
CID 52896563
3-chloro-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
CID 23791817
N-(5-benzyl-1,3-thiazol-2-yl)-2-(2,6-dimethylanilino)acetamide
CID 2240018
N-(5-benzyl-1,3-thiazol-2-yl)-3-methoxybenzamide
CID 37035111
N-(5-benzyl-1,3-thiazol-2-yl)-2-(3-methoxyphenoxy)acetamide
CID 18836083
4-fluoro-3-methyl-N-pyridin-3-yl-1-benzothiophene-2-carboxamide
CID 26817295
N'-benzoyl-4-fluoro-3-methyl-1-benzothiophene-2-carbohydrazide
CID 18196797
N-(2-chlorophenyl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 8776857
2,4-difluoro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 7535959

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide (CID 16562126) is N-(5-benzyl-1,3-thiazol-2-yl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(5-benzyl-1,3-thiazol-2-yl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(5-benzyl-1,3-thiazol-2-yl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide is Cc1c(C(=O)Nc2ncc(Cc3ccccc3)s2)sc2cccc(F)c12.
What is the InChIKey of N-(5-benzyl-1,3-thiazol-2-yl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is XNIMMZLVKGDXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2OS2/c1-12-17-15(21)8-5-9-16(17)26-18(12)19(24)23-20-22-11-14(25-20)10-13-6-3-2-4-7-13/h2-9,11H,10H2,1H3,(H,22,23,24).
What are the key properties of N-(5-benzyl-1,3-thiazol-2-yl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide?
N-(5-benzyl-1,3-thiazol-2-yl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 5.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3-thiazol-2-yl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 16562126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).