4-bromo-2-cyclopropyl-1,3-thiazole-5-carbaldehyde

C7H6BrNOS — CID 139505357

IUPAC4-bromo-2-cyclopropyl-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1sc(C2CC2)nc1Br
InChIInChI=1S/C7H6BrNOS/c8-6-5(3-10)11-7(9-6)4-1-2-4/h3-4H,1-2H2
InChIKeyXYQNPVRDBSGHJT-UHFFFAOYSA-N
MW232.10 g/mol
LogP2.60
Rot. Bonds2

About 4-bromo-2-cyclopropyl-1,3-thiazole-5-carbaldehyde

4-bromo-2-cyclopropyl-1,3-thiazole-5-carbaldehyde (PubChem CID 139505357) has the molecular formula C7H6BrNOS and a molecular weight of 232.10 g/mol. Its IUPAC name is 4-bromo-2-cyclopropyl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-bromo-2-cyclopropyl-1,3-thiazole-5-carbaldehyde
PubChem CID139505357
Molecular FormulaC7H6BrNOS
Molecular Weight232.10 g/mol
Exact Mass230.94
IUPAC Name4-bromo-2-cyclopropyl-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1sc(C2CC2)nc1Br
InChIInChI=1S/C7H6BrNOS/c8-6-5(3-10)11-7(9-6)4-1-2-4/h3-4H,1-2H2
InChIKeyXYQNPVRDBSGHJT-UHFFFAOYSA-N
XLogP2.60
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.10
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-Dibromo-thiazole-5-carbaldehyde
CID 3692839
4-Bromo-2-(trifluoromethyl)-1,3-thiazole-5-carbaldehyde
CID 118990019
4-Bromo-2-(difluoromethyl)-1,3-thiazole-5-carbaldehyde
CID 137935458
4-Bromo-2-iodo-1,3-thiazole-5-carbaldehyde
CID 88049455
CID 89044266
CID 89044266
4-Bromo-2-methylthiazole-5-carbaldehyde
CID 89746641
4-Bromo-2-cyclopropyl-1,3-thiazole-5-carbonyl chloride
CID 122641773
1-(4-Bromo-2-cyclopropyl-1,3-thiazol-5-yl)ethanone
CID 177044853
CID 178919018
CID 178919018
deuterio-(2,4-dibromo-(2,4,5-13C3)1,3-thiazol-5-yl)(113C)methanone
CID 42612653
4-Bromo-2-methoxy-1,3-thiazole-5-carbaldehyde
CID 117274662
4-Bromo-2-ethoxy-1,3-thiazole-5-carbaldehyde
CID 117274663

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-cyclopropyl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-bromo-2-cyclopropyl-1,3-thiazole-5-carbaldehyde (CID 139505357) is 4-bromo-2-cyclopropyl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-bromo-2-cyclopropyl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-bromo-2-cyclopropyl-1,3-thiazole-5-carbaldehyde is O=Cc1sc(C2CC2)nc1Br.
What is the InChIKey of 4-bromo-2-cyclopropyl-1,3-thiazole-5-carbaldehyde?
The InChIKey is XYQNPVRDBSGHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrNOS/c8-6-5(3-10)11-7(9-6)4-1-2-4/h3-4H,1-2H2.
What are the key properties of 4-bromo-2-cyclopropyl-1,3-thiazole-5-carbaldehyde?
4-bromo-2-cyclopropyl-1,3-thiazole-5-carbaldehyde has a molecular weight of 232.10 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-cyclopropyl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 139505357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).