N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[4-(2-oxo-1-phenylquinolin-4-yl)piperazin-1-yl]acetamide

C30H26ClN5O2S — CID 164613368

IUPACN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[4-(2-oxo-1-phenylquinolin-4-yl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2cc(=O)n(-c3ccccc3)c3ccccc23)CC1)Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C30H26ClN5O2S/c31-22-12-10-21(11-13-22)25-20-39-30(32-25)33-28(37)19-34-14-16-35(17-15-34)27-18-29(38)36(23-6-2-1-3-7-23)26-9-5-4-8-24(26)27/h1-13,18,20H,14-17,19H2,(H,32,33,37)
InChIKeyOTNWCMXOAWZXEH-UHFFFAOYSA-N
MW556.09 g/mol
LogP5.53
Rot. Bonds6

About N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[4-(2-oxo-1-phenylquinolin-4-yl)piperazin-1-yl]acetamide

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[4-(2-oxo-1-phenylquinolin-4-yl)piperazin-1-yl]acetamide (PubChem CID 164613368) has the molecular formula C30H26ClN5O2S and a molecular weight of 556.09 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[4-(2-oxo-1-phenylquinolin-4-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[4-(2-oxo-1-phenylquinolin-4-yl)piperazin-1-yl]acetamide
PubChem CID164613368
Molecular FormulaC30H26ClN5O2S
Molecular Weight556.09 g/mol
Exact Mass555.15
IUPAC NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[4-(2-oxo-1-phenylquinolin-4-yl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2cc(=O)n(-c3ccccc3)c3ccccc23)CC1)Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C30H26ClN5O2S/c31-22-12-10-21(11-13-22)25-20-39-30(32-25)33-28(37)19-34-14-16-35(17-15-34)27-18-29(38)36(23-6-2-1-3-7-23)26-9-5-4-8-24(26)27/h1-13,18,20H,14-17,19H2,(H,32,33,37)
InChIKeyOTNWCMXOAWZXEH-UHFFFAOYSA-N
XLogP5.53
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.09
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[ethyl-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]amino]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 71456681
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[ethyl-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]amino]acetamide
CID 71454902
3-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]-6-(2-methylprop-1-enyl)-1-phenyl-5-(piperazine-1-carbonyl)pyridin-2-one
CID 137548387
3-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]-1-(2-ethylphenyl)-6-(2-methylprop-1-enyl)-5-(piperazine-1-carbonyl)pyridin-2-one
CID 137548878
N-(4-chlorobenzyl)-2-(2-((2-thioxo-1,2-dihydroquinazolin-4-yl)amino)thiazol-4-yl)acetamide
CID 4117927
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[2-[(2-sulfanylidene-1H-quinazolin-4-yl)amino]-1,3-thiazol-4-yl]ethanone
CID 4121856
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-[2-[(2-sulfanylidene-1H-quinazolin-4-yl)amino]-1,3-thiazol-4-yl]ethanone
CID 4121858
2-[ethyl-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]amino]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 71456682
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[ethyl-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]amino]propanamide
CID 71458523
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[ethyl-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]amino]propanamide
CID 71458524
N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]butanediamide
CID 71460363
2-[4-(2-oxo-1-phenylquinolin-4-yl)piperazin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 164616997

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[4-(2-oxo-1-phenylquinolin-4-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[4-(2-oxo-1-phenylquinolin-4-yl)piperazin-1-yl]acetamide (CID 164613368) is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[4-(2-oxo-1-phenylquinolin-4-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[4-(2-oxo-1-phenylquinolin-4-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[4-(2-oxo-1-phenylquinolin-4-yl)piperazin-1-yl]acetamide is O=C(CN1CCN(c2cc(=O)n(-c3ccccc3)c3ccccc23)CC1)Nc1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[4-(2-oxo-1-phenylquinolin-4-yl)piperazin-1-yl]acetamide?
The InChIKey is OTNWCMXOAWZXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26ClN5O2S/c31-22-12-10-21(11-13-22)25-20-39-30(32-25)33-28(37)19-34-14-16-35(17-15-34)27-18-29(38)36(23-6-2-1-3-7-23)26-9-5-4-8-24(26)27/h1-13,18,20H,14-17,19H2,(H,32,33,37).
What are the key properties of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[4-(2-oxo-1-phenylquinolin-4-yl)piperazin-1-yl]acetamide?
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[4-(2-oxo-1-phenylquinolin-4-yl)piperazin-1-yl]acetamide has a molecular weight of 556.09 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[4-(2-oxo-1-phenylquinolin-4-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 164613368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).