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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Related Compounds

6-Phenylimidazo(2,1-b)(1,3)thiazole-5-carbaldehyde
CID 329948
4-(3-Ethylpyridinium-1-yl)-5-formyl-2-oxo-1,3-thiazol-3-ide
CID 792704
1-(1,3-Thiazol-2-yl)-1H-pyrrole-2-carbaldehyde
CID 591301
1-(1-Cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 18136700
(2,5-Dimethyl-1-propan-2-ylpyrrol-3-yl)-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 48428510
1-benzyl-N-(4-tert-butyl-1,3-thiazol-2-yl)-5-methylpyrrole-3-carboxamide
CID 166634861
2-chloro-1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)-1H-pyrrol-3-yl]ethan-1-one
CID 2103948
2,5-dimethyl-1-(1,3-thiazol-2-yl)-1H-pyrrole-3-carboxylic acid
CID 16785582
2-cyano-3-(5-cyano-1,2-dimethyl-1H-pyrrol-3-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 2439655
4-(2,5-dimethylpyrrol-1-yl)-N-(1,3-thiazol-2-yl)benzamide
CID 2490574
[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl] N,N-dimethylcarbamodithioate
CID 7554748
N-[4-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]sulfanylphenyl]acetamide
CID 8105583

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).