2,4-dimethyl-6-[(Z)-(methylhydrazinylidene)methyl]pyrrolo[3,2-d][1,3]thiazole-5-carbaldehyde

C10H12N4OS — CID 154681902

IUPAC2,4-dimethyl-6-[(Z)-(methylhydrazinylidene)methyl]pyrrolo[3,2-d][1,3]thiazole-5-carbaldehyde
SMILESCN/N=C\c1c(C=O)n(C)c2sc(C)nc12
InChIInChI=1S/C10H12N4OS/c1-6-13-9-7(4-12-11-2)8(5-15)14(3)10(9)16-6/h4-5,11H,1-3H3/b12-4-
InChIKeyBFASZLLRZBFMGL-QCDXTXTGSA-N
MW236.30 g/mol
LogP1.31
Rot. Bonds3

About 2,4-dimethyl-6-[(Z)-(methylhydrazinylidene)methyl]pyrrolo[3,2-d][1,3]thiazole-5-carbaldehyde

2,4-dimethyl-6-[(Z)-(methylhydrazinylidene)methyl]pyrrolo[3,2-d][1,3]thiazole-5-carbaldehyde (PubChem CID 154681902) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 2,4-dimethyl-6-[(Z)-(methylhydrazinylidene)methyl]pyrrolo[3,2-d][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2,4-dimethyl-6-[(Z)-(methylhydrazinylidene)methyl]pyrrolo[3,2-d][1,3]thiazole-5-carbaldehyde
PubChem CID154681902
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name2,4-dimethyl-6-[(Z)-(methylhydrazinylidene)methyl]pyrrolo[3,2-d][1,3]thiazole-5-carbaldehyde
SMILESCN/N=C\c1c(C=O)n(C)c2sc(C)nc12
InChIInChI=1S/C10H12N4OS/c1-6-13-9-7(4-12-11-2)8(5-15)14(3)10(9)16-6/h4-5,11H,1-3H3/b12-4-
InChIKeyBFASZLLRZBFMGL-QCDXTXTGSA-N
XLogP1.31
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 2,4-dimethyl-6-[(Z)-(methylhydrazinylidene)methyl]pyrrolo[3,2-d][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 2,4-dimethyl-6-[(Z)-(methylhydrazinylidene)methyl]pyrrolo[3,2-d][1,3]thiazole-5-carbaldehyde (CID 154681902) is 2,4-dimethyl-6-[(Z)-(methylhydrazinylidene)methyl]pyrrolo[3,2-d][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 2,4-dimethyl-6-[(Z)-(methylhydrazinylidene)methyl]pyrrolo[3,2-d][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 2,4-dimethyl-6-[(Z)-(methylhydrazinylidene)methyl]pyrrolo[3,2-d][1,3]thiazole-5-carbaldehyde is CN/N=C\c1c(C=O)n(C)c2sc(C)nc12.
What is the InChIKey of 2,4-dimethyl-6-[(Z)-(methylhydrazinylidene)methyl]pyrrolo[3,2-d][1,3]thiazole-5-carbaldehyde?
The InChIKey is BFASZLLRZBFMGL-QCDXTXTGSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-6-13-9-7(4-12-11-2)8(5-15)14(3)10(9)16-6/h4-5,11H,1-3H3/b12-4-.
What are the key properties of 2,4-dimethyl-6-[(Z)-(methylhydrazinylidene)methyl]pyrrolo[3,2-d][1,3]thiazole-5-carbaldehyde?
2,4-dimethyl-6-[(Z)-(methylhydrazinylidene)methyl]pyrrolo[3,2-d][1,3]thiazole-5-carbaldehyde has a molecular weight of 236.30 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-[(Z)-(methylhydrazinylidene)methyl]pyrrolo[3,2-d][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 154681902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).