(5Z)-4-hydroxy-3-methyl-5-(1H-pyrrolo[2,3-c]pyridin-3-ylmethylidene)-1,3-thiazolidin-2-one

C12H11N3O2S — CID 167169074

IUPAC(5Z)-4-hydroxy-3-methyl-5-(1H-pyrrolo[2,3-c]pyridin-3-ylmethylidene)-1,3-thiazolidin-2-one
SMILESCN1C(=O)S/C(=C\c2c[nH]c3cnccc23)C1O
InChIInChI=1S/C12H11N3O2S/c1-15-11(16)10(18-12(15)17)4-7-5-14-9-6-13-3-2-8(7)9/h2-6,11,14,16H,1H3/b10-4-
InChIKeyXTSBKCNHZCCXOW-WMZJFQQLSA-N
MW261.31 g/mol
LogP2.02
Rot. Bonds1

About (5Z)-4-hydroxy-3-methyl-5-(1H-pyrrolo[2,3-c]pyridin-3-ylmethylidene)-1,3-thiazolidin-2-one

(5Z)-4-hydroxy-3-methyl-5-(1H-pyrrolo[2,3-c]pyridin-3-ylmethylidene)-1,3-thiazolidin-2-one (PubChem CID 167169074) has the molecular formula C12H11N3O2S and a molecular weight of 261.31 g/mol. Its IUPAC name is (5Z)-4-hydroxy-3-methyl-5-(1H-pyrrolo[2,3-c]pyridin-3-ylmethylidene)-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name(5Z)-4-hydroxy-3-methyl-5-(1H-pyrrolo[2,3-c]pyridin-3-ylmethylidene)-1,3-thiazolidin-2-one
PubChem CID167169074
Molecular FormulaC12H11N3O2S
Molecular Weight261.31 g/mol
Exact Mass261.06
IUPAC Name(5Z)-4-hydroxy-3-methyl-5-(1H-pyrrolo[2,3-c]pyridin-3-ylmethylidene)-1,3-thiazolidin-2-one
SMILESCN1C(=O)S/C(=C\c2c[nH]c3cnccc23)C1O
InChIInChI=1S/C12H11N3O2S/c1-15-11(16)10(18-12(15)17)4-7-5-14-9-6-13-3-2-8(7)9/h2-6,11,14,16H,1H3/b10-4-
InChIKeyXTSBKCNHZCCXOW-WMZJFQQLSA-N
XLogP2.02
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze (5Z)-4-hydroxy-3-methyl-5-(1H-pyrrolo[2,3-c]pyridin-3-ylmethylidene)-1,3-thiazolidin-2-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

CID 17973004
CID 17973004
CID 68548450
CID 68548450
CID 68550990
CID 68550990
CID 69851548
CID 69851548
CID 89511382
CID 89511382
CID 118146033
CID 118146033
CID 123230177
CID 123230177
CID 140984905
CID 140984905
CID 156201638
CID 156201638
CID 156201640
CID 156201640
CID 156556129
CID 156556129
CID 164870477
CID 164870477

Frequently Asked Questions

What is the IUPAC name of (5Z)-4-hydroxy-3-methyl-5-(1H-pyrrolo[2,3-c]pyridin-3-ylmethylidene)-1,3-thiazolidin-2-one?
The IUPAC name of (5Z)-4-hydroxy-3-methyl-5-(1H-pyrrolo[2,3-c]pyridin-3-ylmethylidene)-1,3-thiazolidin-2-one (CID 167169074) is (5Z)-4-hydroxy-3-methyl-5-(1H-pyrrolo[2,3-c]pyridin-3-ylmethylidene)-1,3-thiazolidin-2-one.
What is the SMILES notation for (5Z)-4-hydroxy-3-methyl-5-(1H-pyrrolo[2,3-c]pyridin-3-ylmethylidene)-1,3-thiazolidin-2-one?
The canonical SMILES for (5Z)-4-hydroxy-3-methyl-5-(1H-pyrrolo[2,3-c]pyridin-3-ylmethylidene)-1,3-thiazolidin-2-one is CN1C(=O)S/C(=C\c2c[nH]c3cnccc23)C1O.
What is the InChIKey of (5Z)-4-hydroxy-3-methyl-5-(1H-pyrrolo[2,3-c]pyridin-3-ylmethylidene)-1,3-thiazolidin-2-one?
The InChIKey is XTSBKCNHZCCXOW-WMZJFQQLSA-N. The full InChI is InChI=1S/C12H11N3O2S/c1-15-11(16)10(18-12(15)17)4-7-5-14-9-6-13-3-2-8(7)9/h2-6,11,14,16H,1H3/b10-4-.
What are the key properties of (5Z)-4-hydroxy-3-methyl-5-(1H-pyrrolo[2,3-c]pyridin-3-ylmethylidene)-1,3-thiazolidin-2-one?
(5Z)-4-hydroxy-3-methyl-5-(1H-pyrrolo[2,3-c]pyridin-3-ylmethylidene)-1,3-thiazolidin-2-one has a molecular weight of 261.31 g/mol, XLogP of 2.02, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4-hydroxy-3-methyl-5-(1H-pyrrolo[2,3-c]pyridin-3-ylmethylidene)-1,3-thiazolidin-2-one is sourced from PubChem (CID 167169074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).