N-(3,4-dihydro-2H-thiochromen-4-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide

C22H22N2OS2 — CID 18209218

IUPACN-(3,4-dihydro-2H-thiochromen-4-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCCc1ccc(-c2nc(CC(=O)NC3CCSc4ccccc43)cs2)cc1
InChIInChI=1S/C22H22N2OS2/c1-2-15-7-9-16(10-8-15)22-23-17(14-27-22)13-21(25)24-19-11-12-26-20-6-4-3-5-18(19)20/h3-10,14,19H,2,11-13H2,1H3,(H,24,25)
InChIKeyPQHOJCJFHZFTDQ-UHFFFAOYSA-N
MW394.57 g/mol
LogP5.27
Rot. Bonds5

About N-(3,4-dihydro-2H-thiochromen-4-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide

N-(3,4-dihydro-2H-thiochromen-4-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 18209218) has the molecular formula C22H22N2OS2 and a molecular weight of 394.57 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-thiochromen-4-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-thiochromen-4-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID18209218
Molecular FormulaC22H22N2OS2
Molecular Weight394.57 g/mol
Exact Mass394.12
IUPAC NameN-(3,4-dihydro-2H-thiochromen-4-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCCc1ccc(-c2nc(CC(=O)NC3CCSc4ccccc43)cs2)cc1
InChIInChI=1S/C22H22N2OS2/c1-2-15-7-9-16(10-8-15)22-23-17(14-27-22)13-21(25)24-19-11-12-26-20-6-4-3-5-18(19)20/h3-10,14,19H,2,11-13H2,1H3,(H,24,25)
InChIKeyPQHOJCJFHZFTDQ-UHFFFAOYSA-N
XLogP5.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.57
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3,4-dihydro-2H-thiochromen-4-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-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-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide
CID 18193148
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 16572678
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 40812760
N-(2,3-dihydro-1H-inden-1-yl)-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 17439358
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-fluorophenyl)acetamide
CID 8933642
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]acetamide
CID 112819934
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride
CID 18593828
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 31976871
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 55676989
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide
CID 119459858
N-[3-[[2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 55537701
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 112809788

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-thiochromen-4-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(3,4-dihydro-2H-thiochromen-4-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide (CID 18209218) is N-(3,4-dihydro-2H-thiochromen-4-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(3,4-dihydro-2H-thiochromen-4-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(3,4-dihydro-2H-thiochromen-4-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide is CCc1ccc(-c2nc(CC(=O)NC3CCSc4ccccc43)cs2)cc1.
What is the InChIKey of N-(3,4-dihydro-2H-thiochromen-4-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is PQHOJCJFHZFTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2OS2/c1-2-15-7-9-16(10-8-15)22-23-17(14-27-22)13-21(25)24-19-11-12-26-20-6-4-3-5-18(19)20/h3-10,14,19H,2,11-13H2,1H3,(H,24,25).
What are the key properties of N-(3,4-dihydro-2H-thiochromen-4-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide?
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 394.57 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-thiochromen-4-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 18209218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).