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

C10H10N2OS — CID 4962515

IUPAC2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbaldehyde
SMILESCc1cc(C=O)c(C)n1-c1nccs1
InChIInChI=1S/C10H10N2OS/c1-7-5-9(6-13)8(2)12(7)10-11-3-4-14-10/h3-6H,1-2H3
InChIKeyPOOXCXKWGLDXNJ-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.36
Rot. Bonds2

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

2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbaldehyde (PubChem CID 4962515) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbaldehyde.

Molecular Properties

Compound Name2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbaldehyde
PubChem CID4962515
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbaldehyde
SMILESCc1cc(C=O)c(C)n1-c1nccs1
InChIInChI=1S/C10H10N2OS/c1-7-5-9(6-13)8(2)12(7)10-11-3-4-14-10/h3-6H,1-2H3
InChIKeyPOOXCXKWGLDXNJ-UHFFFAOYSA-N
XLogP2.36
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.36
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-(1,3-thiazol-2-yl)pyrrole-3-carbaldehyde?
The IUPAC name of 2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbaldehyde (CID 4962515) is 2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbaldehyde.
What is the SMILES notation for 2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbaldehyde?
The canonical SMILES for 2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbaldehyde is Cc1cc(C=O)c(C)n1-c1nccs1.
What is the InChIKey of 2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbaldehyde?
The InChIKey is POOXCXKWGLDXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c1-7-5-9(6-13)8(2)12(7)10-11-3-4-14-10/h3-6H,1-2H3.
What are the key properties of 2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbaldehyde?
2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbaldehyde has a molecular weight of 206.27 g/mol, XLogP of 2.36, 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-(1,3-thiazol-2-yl)pyrrole-3-carbaldehyde is sourced from PubChem (CID 4962515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).