1-(2-chlorophenyl)-N-[(Z)-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-9H-pyrido[3,4-b]indole-3-carboxamide

C23H18ClN5O2S — CID 134151628

IUPAC1-(2-chlorophenyl)-N-[(Z)-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESCCN1C(=O)CS/C1=N\NC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccccc2Cl)n1
InChIInChI=1S/C23H18ClN5O2S/c1-2-29-19(30)12-32-23(29)28-27-22(31)18-11-15-13-7-4-6-10-17(13)25-21(15)20(26-18)14-8-3-5-9-16(14)24/h3-11,25H,2,12H2,1H3,(H,27,31)/b28-23-
InChIKeyYZVDQNOMOPIMEW-NFFVHWSESA-N
MW463.95 g/mol
LogP4.63
Rot. Bonds4

About 1-(2-chlorophenyl)-N-[(Z)-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-9H-pyrido[3,4-b]indole-3-carboxamide

1-(2-chlorophenyl)-N-[(Z)-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-9H-pyrido[3,4-b]indole-3-carboxamide (PubChem CID 134151628) has the molecular formula C23H18ClN5O2S and a molecular weight of 463.95 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(Z)-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-9H-pyrido[3,4-b]indole-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(Z)-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-9H-pyrido[3,4-b]indole-3-carboxamide
PubChem CID134151628
Molecular FormulaC23H18ClN5O2S
Molecular Weight463.95 g/mol
Exact Mass463.09
IUPAC Name1-(2-chlorophenyl)-N-[(Z)-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESCCN1C(=O)CS/C1=N\NC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccccc2Cl)n1
InChIInChI=1S/C23H18ClN5O2S/c1-2-29-19(30)12-32-23(29)28-27-22(31)18-11-15-13-7-4-6-10-17(13)25-21(15)20(26-18)14-8-3-5-9-16(14)24/h3-11,25H,2,12H2,1H3,(H,27,31)/b28-23-
InChIKeyYZVDQNOMOPIMEW-NFFVHWSESA-N
XLogP4.63
TPSA90.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.95
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(Z)-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-9H-pyrido[3,4-b]indole-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[(Z)-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-9H-pyrido[3,4-b]indole-3-carboxamide (CID 134151628) is 1-(2-chlorophenyl)-N-[(Z)-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-9H-pyrido[3,4-b]indole-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(Z)-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-9H-pyrido[3,4-b]indole-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(Z)-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-9H-pyrido[3,4-b]indole-3-carboxamide is CCN1C(=O)CS/C1=N\NC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccccc2Cl)n1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(Z)-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-9H-pyrido[3,4-b]indole-3-carboxamide?
The InChIKey is YZVDQNOMOPIMEW-NFFVHWSESA-N. The full InChI is InChI=1S/C23H18ClN5O2S/c1-2-29-19(30)12-32-23(29)28-27-22(31)18-11-15-13-7-4-6-10-17(13)25-21(15)20(26-18)14-8-3-5-9-16(14)24/h3-11,25H,2,12H2,1H3,(H,27,31)/b28-23-.
What are the key properties of 1-(2-chlorophenyl)-N-[(Z)-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-9H-pyrido[3,4-b]indole-3-carboxamide?
1-(2-chlorophenyl)-N-[(Z)-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-9H-pyrido[3,4-b]indole-3-carboxamide has a molecular weight of 463.95 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[(Z)-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-9H-pyrido[3,4-b]indole-3-carboxamide is sourced from PubChem (CID 134151628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).