4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-imino-1-(2-methylpropyl)-2H-pyrrol-3-ol

C13H19N3OS — CID 135653284

IUPAC4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-imino-1-(2-methylpropyl)-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2nc(C)c(C)s2)=C(O)CN1CC(C)C
InChIInChI=1S/C13H19N3OS/c1-7(2)5-16-6-10(17)11(12(16)14)13-15-8(3)9(4)18-13/h7,14,17H,5-6H2,1-4H3/b14-12-
InChIKeyMJEOJJGLTOUHBT-OWBHPGMISA-N
MW265.38 g/mol
LogP2.98
Rot. Bonds3

About 4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-imino-1-(2-methylpropyl)-2H-pyrrol-3-ol

4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-imino-1-(2-methylpropyl)-2H-pyrrol-3-ol (PubChem CID 135653284) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-imino-1-(2-methylpropyl)-2H-pyrrol-3-ol.

Molecular Properties

Compound Name4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-imino-1-(2-methylpropyl)-2H-pyrrol-3-ol
PubChem CID135653284
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-imino-1-(2-methylpropyl)-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2nc(C)c(C)s2)=C(O)CN1CC(C)C
InChIInChI=1S/C13H19N3OS/c1-7(2)5-16-6-10(17)11(12(16)14)13-15-8(3)9(4)18-13/h7,14,17H,5-6H2,1-4H3/b14-12-
InChIKeyMJEOJJGLTOUHBT-OWBHPGMISA-N
XLogP2.98
TPSA60.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-imino-1-(2-methylpropyl)-2H-pyrrol-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-imino-1-(2-methylpropyl)-2H-pyrrol-3-ol?
The IUPAC name of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-imino-1-(2-methylpropyl)-2H-pyrrol-3-ol (CID 135653284) is 4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-imino-1-(2-methylpropyl)-2H-pyrrol-3-ol.
What is the SMILES notation for 4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-imino-1-(2-methylpropyl)-2H-pyrrol-3-ol?
The canonical SMILES for 4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-imino-1-(2-methylpropyl)-2H-pyrrol-3-ol is [H]/N=C1/C(c2nc(C)c(C)s2)=C(O)CN1CC(C)C.
What is the InChIKey of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-imino-1-(2-methylpropyl)-2H-pyrrol-3-ol?
The InChIKey is MJEOJJGLTOUHBT-OWBHPGMISA-N. The full InChI is InChI=1S/C13H19N3OS/c1-7(2)5-16-6-10(17)11(12(16)14)13-15-8(3)9(4)18-13/h7,14,17H,5-6H2,1-4H3/b14-12-.
What are the key properties of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-imino-1-(2-methylpropyl)-2H-pyrrol-3-ol?
4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-imino-1-(2-methylpropyl)-2H-pyrrol-3-ol has a molecular weight of 265.38 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-imino-1-(2-methylpropyl)-2H-pyrrol-3-ol is sourced from PubChem (CID 135653284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).