(5S)-3-(2-methylpropyl)-2-(6-morpholin-4-ylcyclohexa-2,4-dien-1-yl)-5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one

C32H43N5O4S — CID 89317019

IUPAC(5S)-3-(2-methylpropyl)-2-(6-morpholin-4-ylcyclohexa-2,4-dien-1-yl)-5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one
SMILESCC(C)CN1C(=O)[C@H](CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)SC1C1C=CC=CC1N1CCOCC1
InChIInChI=1S/C32H43N5O4S/c1-22(2)20-37-30(39)28(42-31(37)25-8-4-6-10-27(25)34-15-17-41-18-16-34)19-29(38)35-13-11-24(12-14-35)36-21-23-7-3-5-9-26(23)33-32(36)40/h3-10,22,24-25,27-28,31H,11-21H2,1-2H3,(H,33,40)/t25?,27?,28-,31?/m0/s1
InChIKeyRVJOAKWWSRMXTH-BXYQQNHHSA-N
MW593.79 g/mol
LogP3.78
Rot. Bonds7

About (5S)-3-(2-methylpropyl)-2-(6-morpholin-4-ylcyclohexa-2,4-dien-1-yl)-5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one

(5S)-3-(2-methylpropyl)-2-(6-morpholin-4-ylcyclohexa-2,4-dien-1-yl)-5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one (PubChem CID 89317019) has the molecular formula C32H43N5O4S and a molecular weight of 593.79 g/mol. Its IUPAC name is (5S)-3-(2-methylpropyl)-2-(6-morpholin-4-ylcyclohexa-2,4-dien-1-yl)-5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5S)-3-(2-methylpropyl)-2-(6-morpholin-4-ylcyclohexa-2,4-dien-1-yl)-5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one
PubChem CID89317019
Molecular FormulaC32H43N5O4S
Molecular Weight593.79 g/mol
Exact Mass593.30
IUPAC Name(5S)-3-(2-methylpropyl)-2-(6-morpholin-4-ylcyclohexa-2,4-dien-1-yl)-5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one
SMILESCC(C)CN1C(=O)[C@H](CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)SC1C1C=CC=CC1N1CCOCC1
InChIInChI=1S/C32H43N5O4S/c1-22(2)20-37-30(39)28(42-31(37)25-8-4-6-10-27(25)34-15-17-41-18-16-34)19-29(38)35-13-11-24(12-14-35)36-21-23-7-3-5-9-26(23)33-32(36)40/h3-10,22,24-25,27-28,31H,11-21H2,1-2H3,(H,33,40)/t25?,27?,28-,31?/m0/s1
InChIKeyRVJOAKWWSRMXTH-BXYQQNHHSA-N
XLogP3.78
TPSA85.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500593.79
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5S)-3-(2-methylpropyl)-2-(6-morpholin-4-ylcyclohexa-2,4-dien-1-yl)-5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one 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

2-(4-bromophenyl)-3-(3-methylbutyl)-5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one
CID 59555019
2-(3,4-difluorophenyl)-3-(3-methylbutyl)-5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one
CID 59555192
4-(3-methylbutyl)-2-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-8-oxa-1-thia-4-azaspiro[4.5]decan-3-one;molecular hydrogen
CID 158740233
2-(3-fluorophenyl)-3-(3-methylbutyl)-5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one
CID 59555354
3-(cyclohexylmethyl)-2-(2-methylphenyl)-5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one
CID 89009379
N-[2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 71055645
4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]piperidine-1-carboxamide
CID 71055661
2-[3-(cyclohexylmethyl)-4-oxo-5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-2-yl]benzonitrile
CID 59555106
3-(cyclopropylmethyl)-5-[2-oxo-2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]ethyl]-2-phenyl-1,3-thiazolidin-4-one;molecular hydrogen
CID 158348881
3-[(2R)-1-hydroxy-4-methylpentan-2-yl]-5-[2-oxo-2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]ethyl]-2-phenyl-1,3-thiazolidin-4-one
CID 59555062
4-oxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]butanal
CID 87696645
3-(3,3-dimethylbutyl)-2-[3-fluoro-2-(4-propan-2-ylpiperazin-1-yl)phenyl]-5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one
CID 59554991

Frequently Asked Questions

What is the IUPAC name of (5S)-3-(2-methylpropyl)-2-(6-morpholin-4-ylcyclohexa-2,4-dien-1-yl)-5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one?
The IUPAC name of (5S)-3-(2-methylpropyl)-2-(6-morpholin-4-ylcyclohexa-2,4-dien-1-yl)-5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one (CID 89317019) is (5S)-3-(2-methylpropyl)-2-(6-morpholin-4-ylcyclohexa-2,4-dien-1-yl)-5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5S)-3-(2-methylpropyl)-2-(6-morpholin-4-ylcyclohexa-2,4-dien-1-yl)-5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one?
The canonical SMILES for (5S)-3-(2-methylpropyl)-2-(6-morpholin-4-ylcyclohexa-2,4-dien-1-yl)-5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one is CC(C)CN1C(=O)[C@H](CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)SC1C1C=CC=CC1N1CCOCC1.
What is the InChIKey of (5S)-3-(2-methylpropyl)-2-(6-morpholin-4-ylcyclohexa-2,4-dien-1-yl)-5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one?
The InChIKey is RVJOAKWWSRMXTH-BXYQQNHHSA-N. The full InChI is InChI=1S/C32H43N5O4S/c1-22(2)20-37-30(39)28(42-31(37)25-8-4-6-10-27(25)34-15-17-41-18-16-34)19-29(38)35-13-11-24(12-14-35)36-21-23-7-3-5-9-26(23)33-32(36)40/h3-10,22,24-25,27-28,31H,11-21H2,1-2H3,(H,33,40)/t25?,27?,28-,31?/m0/s1.
What are the key properties of (5S)-3-(2-methylpropyl)-2-(6-morpholin-4-ylcyclohexa-2,4-dien-1-yl)-5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one?
(5S)-3-(2-methylpropyl)-2-(6-morpholin-4-ylcyclohexa-2,4-dien-1-yl)-5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one has a molecular weight of 593.79 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(2-methylpropyl)-2-(6-morpholin-4-ylcyclohexa-2,4-dien-1-yl)-5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 89317019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).