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

C22H22N2O2S — CID 18193148

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCCc1ccc(-c2nc(CC(=O)NC3CCOc4ccccc43)cs2)cc1
InChIInChI=1S/C22H22N2O2S/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)
InChIKeyCQQPDPXEMMSOSJ-UHFFFAOYSA-N
MW378.50 g/mol
LogP4.55
Rot. Bonds5

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

N-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 18193148) has the molecular formula C22H22N2O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID18193148
Molecular FormulaC22H22N2O2S
Molecular Weight378.50 g/mol
Exact Mass378.14
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCCc1ccc(-c2nc(CC(=O)NC3CCOc4ccccc43)cs2)cc1
InChIInChI=1S/C22H22N2O2S/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)
InChIKeyCQQPDPXEMMSOSJ-UHFFFAOYSA-N
XLogP4.55
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dihydro-2H-thiochromen-4-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide
CID 18209218
N-(3,4-dihydro-2H-chromen-4-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 18115290
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 39966405
N-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-1,3-thiazol-2-amine
CID 62961004
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 40812760
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
N-(3,4-dihydro-2H-chromen-4-yl)-2-naphthalen-1-ylacetamide
CID 18115215
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-morpholin-4-yl-2-phenylethyl)acetamide
CID 55574676
N-[3-[[2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 55537701
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9159591

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide (CID 18193148) is N-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide is CCc1ccc(-c2nc(CC(=O)NC3CCOc4ccccc43)cs2)cc1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is CQQPDPXEMMSOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2S/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-chromen-4-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide?
N-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 378.50 g/mol, XLogP of 4.55, 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-chromen-4-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 18193148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).