2,5-dimethyl-1-(5-methyl-1,3-thiazol-2-yl)pyrrole-3-carbaldehyde

C11H12N2OS — CID 24690941

IUPAC2,5-dimethyl-1-(5-methyl-1,3-thiazol-2-yl)pyrrole-3-carbaldehyde
SMILESCc1cnc(-n2c(C)cc(C=O)c2C)s1
InChIInChI=1S/C11H12N2OS/c1-7-4-10(6-14)9(3)13(7)11-12-5-8(2)15-11/h4-6H,1-3H3
InChIKeyHSXUROVRFQQGSV-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.67
Rot. Bonds2

About 2,5-dimethyl-1-(5-methyl-1,3-thiazol-2-yl)pyrrole-3-carbaldehyde

2,5-dimethyl-1-(5-methyl-1,3-thiazol-2-yl)pyrrole-3-carbaldehyde (PubChem CID 24690941) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 2,5-dimethyl-1-(5-methyl-1,3-thiazol-2-yl)pyrrole-3-carbaldehyde.

Molecular Properties

Compound Name2,5-dimethyl-1-(5-methyl-1,3-thiazol-2-yl)pyrrole-3-carbaldehyde
PubChem CID24690941
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name2,5-dimethyl-1-(5-methyl-1,3-thiazol-2-yl)pyrrole-3-carbaldehyde
SMILESCc1cnc(-n2c(C)cc(C=O)c2C)s1
InChIInChI=1S/C11H12N2OS/c1-7-4-10(6-14)9(3)13(7)11-12-5-8(2)15-11/h4-6H,1-3H3
InChIKeyHSXUROVRFQQGSV-UHFFFAOYSA-N
XLogP2.67
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(5-methyl-1,3-thiazol-2-yl)pyrrole-3-carbaldehyde?
The IUPAC name of 2,5-dimethyl-1-(5-methyl-1,3-thiazol-2-yl)pyrrole-3-carbaldehyde (CID 24690941) is 2,5-dimethyl-1-(5-methyl-1,3-thiazol-2-yl)pyrrole-3-carbaldehyde.
What is the SMILES notation for 2,5-dimethyl-1-(5-methyl-1,3-thiazol-2-yl)pyrrole-3-carbaldehyde?
The canonical SMILES for 2,5-dimethyl-1-(5-methyl-1,3-thiazol-2-yl)pyrrole-3-carbaldehyde is Cc1cnc(-n2c(C)cc(C=O)c2C)s1.
What is the InChIKey of 2,5-dimethyl-1-(5-methyl-1,3-thiazol-2-yl)pyrrole-3-carbaldehyde?
The InChIKey is HSXUROVRFQQGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-7-4-10(6-14)9(3)13(7)11-12-5-8(2)15-11/h4-6H,1-3H3.
What are the key properties of 2,5-dimethyl-1-(5-methyl-1,3-thiazol-2-yl)pyrrole-3-carbaldehyde?
2,5-dimethyl-1-(5-methyl-1,3-thiazol-2-yl)pyrrole-3-carbaldehyde has a molecular weight of 220.30 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(5-methyl-1,3-thiazol-2-yl)pyrrole-3-carbaldehyde is sourced from PubChem (CID 24690941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).