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

C8H6N2OS — CID 591301

IUPAC1-(1,3-thiazol-2-yl)pyrrole-2-carbaldehyde
SMILESO=Cc1cccn1-c1nccs1
InChIInChI=1S/C8H6N2OS/c11-6-7-2-1-4-10(7)8-9-3-5-12-8/h1-6H
InChIKeyMJMPLOXIKWGERX-UHFFFAOYSA-N
MW178.22 g/mol
LogP1.75
Rot. Bonds2

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

1-(1,3-thiazol-2-yl)pyrrole-2-carbaldehyde (PubChem CID 591301) has the molecular formula C8H6N2OS and a molecular weight of 178.22 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-yl)pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name1-(1,3-thiazol-2-yl)pyrrole-2-carbaldehyde
PubChem CID591301
Molecular FormulaC8H6N2OS
Molecular Weight178.22 g/mol
Exact Mass178.02
IUPAC Name1-(1,3-thiazol-2-yl)pyrrole-2-carbaldehyde
SMILESO=Cc1cccn1-c1nccs1
InChIInChI=1S/C8H6N2OS/c11-6-7-2-1-4-10(7)8-9-3-5-12-8/h1-6H
InChIKeyMJMPLOXIKWGERX-UHFFFAOYSA-N
XLogP1.75
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1,3-thiazol-2-yl)-1H-pyrrole-2-carbaldehyde oxime
CID 5912217
Pyridine-2-carboxylic acid thiazol-2-ylamide
CID 1070711
1-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrrole-2-carboxamide
CID 2487624
1-methyl-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide
CID 2999793
1-[(thiophen-2-yl)methyl]-1H-pyrrole-2-carbaldehyde
CID 11137952
2,5-dimethyl-1-(1,3-thiazol-2-yl)-1H-pyrrole-3-carbaldehyde
CID 4962515
[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl] N,N-dimethylcarbamodithioate
CID 7554748
N-(5-fluoro-1,3-thiazol-2-yl)-1H-pyrrole-2-carboxamide
CID 90952388
N-ethyl-1-[(pyridin-4-yl)methyl]-N-(1,3-thiazol-2-yl)-1H-pyrrole-2-carboxamide
CID 138046350
1-[4-(2-Fluorophenyl)-1,3-thiazol-2-yl]pyrrole-2-carbaldehyde
CID 3276093
1-[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]pyrrole-2-carbaldehyde
CID 3304723
1-[4-[2-(Trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrrole-2-carbaldehyde
CID 3643534

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-2-yl)pyrrole-2-carbaldehyde?
The IUPAC name of 1-(1,3-thiazol-2-yl)pyrrole-2-carbaldehyde (CID 591301) is 1-(1,3-thiazol-2-yl)pyrrole-2-carbaldehyde.
What is the SMILES notation for 1-(1,3-thiazol-2-yl)pyrrole-2-carbaldehyde?
The canonical SMILES for 1-(1,3-thiazol-2-yl)pyrrole-2-carbaldehyde is O=Cc1cccn1-c1nccs1.
What is the InChIKey of 1-(1,3-thiazol-2-yl)pyrrole-2-carbaldehyde?
The InChIKey is MJMPLOXIKWGERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2OS/c11-6-7-2-1-4-10(7)8-9-3-5-12-8/h1-6H.
What are the key properties of 1-(1,3-thiazol-2-yl)pyrrole-2-carbaldehyde?
1-(1,3-thiazol-2-yl)pyrrole-2-carbaldehyde has a molecular weight of 178.22 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-yl)pyrrole-2-carbaldehyde is sourced from PubChem (CID 591301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).