N-(2,6-dimethylphenyl)-N-[4-(quinolin-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide

C23H21N3OS2 — CID 7754704

IUPACN-(2,6-dimethylphenyl)-N-[4-(quinolin-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1nc(CSc2ccc3ccccc3n2)cs1)c1c(C)cccc1C
InChIInChI=1S/C23H21N3OS2/c1-15-7-6-8-16(2)22(15)26(17(3)27)23-24-19(14-29-23)13-28-21-12-11-18-9-4-5-10-20(18)25-21/h4-12,14H,13H2,1-3H3
InChIKeyDIXBVROEAAQXNF-UHFFFAOYSA-N
MW419.58 g/mol
LogP6.29
Rot. Bonds5

About N-(2,6-dimethylphenyl)-N-[4-(quinolin-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide

N-(2,6-dimethylphenyl)-N-[4-(quinolin-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 7754704) has the molecular formula C23H21N3OS2 and a molecular weight of 419.58 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-N-[4-(quinolin-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-N-[4-(quinolin-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID7754704
Molecular FormulaC23H21N3OS2
Molecular Weight419.58 g/mol
Exact Mass419.11
IUPAC NameN-(2,6-dimethylphenyl)-N-[4-(quinolin-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1nc(CSc2ccc3ccccc3n2)cs1)c1c(C)cccc1C
InChIInChI=1S/C23H21N3OS2/c1-15-7-6-8-16(2)22(15)26(17(3)27)23-24-19(14-29-23)13-28-21-12-11-18-9-4-5-10-20(18)25-21/h4-12,14H,13H2,1-3H3
InChIKeyDIXBVROEAAQXNF-UHFFFAOYSA-N
XLogP6.29
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.58
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(2,6-dimethylphenyl)-N-[4-(quinolin-2-ylsulfanylmethyl)-1,3-thiazol-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-(2,6-dimethylphenyl)-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]acetamide
CID 16768974
N-(2,3-dimethylphenyl)-N-[4-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 52728155
N-[4-[(4-methoxyphenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 8907868
N-ethyl-N-[4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 31207857
N-(2,4-dimethylphenyl)-N-[4-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 52728153
N-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide
CID 4858943
[2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methyl-[(1S)-1-(4-chlorophenyl)ethyl]azanium
CID 8635871
[2-(N-acetyl-2,4,6-trimethylanilino)-1,3-thiazol-4-yl]methyl 2-naphthalen-2-ylsulfanylacetate
CID 31985817
N-phenyl-N-[4-[(4-propan-2-ylphenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 35064397
N-[4-(1,3-benzoxazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]-N-phenylacetamide
CID 4825395
N-[4-[(4-amino-6-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide
CID 30009050
N-(2-ethylphenyl)-N-[4-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 112774769

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-N-[4-(quinolin-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-N-[4-(quinolin-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide (CID 7754704) is N-(2,6-dimethylphenyl)-N-[4-(quinolin-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-N-[4-(quinolin-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-N-[4-(quinolin-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide is CC(=O)N(c1nc(CSc2ccc3ccccc3n2)cs1)c1c(C)cccc1C.
What is the InChIKey of N-(2,6-dimethylphenyl)-N-[4-(quinolin-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is DIXBVROEAAQXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3OS2/c1-15-7-6-8-16(2)22(15)26(17(3)27)23-24-19(14-29-23)13-28-21-12-11-18-9-4-5-10-20(18)25-21/h4-12,14H,13H2,1-3H3.
What are the key properties of N-(2,6-dimethylphenyl)-N-[4-(quinolin-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide?
N-(2,6-dimethylphenyl)-N-[4-(quinolin-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 419.58 g/mol, XLogP of 6.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-N-[4-(quinolin-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 7754704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).