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

C6H6BrNS — CID 45141884

IUPAC4-bromo-2-cyclopropyl-1,3-thiazole
SMILESBrc1csc(C2CC2)n1
InChIInChI=1S/C6H6BrNS/c7-5-3-9-6(8-5)4-1-2-4/h3-4H,1-2H2
InChIKeyUJFDCZNRQSUMIF-UHFFFAOYSA-N
MW204.09 g/mol
LogP2.78
Rot. Bonds1

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

4-bromo-2-cyclopropyl-1,3-thiazole (PubChem CID 45141884) has the molecular formula C6H6BrNS and a molecular weight of 204.09 g/mol. Its IUPAC name is 4-bromo-2-cyclopropyl-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-cyclopropyl-1,3-thiazole
PubChem CID45141884
Molecular FormulaC6H6BrNS
Molecular Weight204.09 g/mol
Exact Mass202.94
IUPAC Name4-bromo-2-cyclopropyl-1,3-thiazole
SMILESBrc1csc(C2CC2)n1
InChIInChI=1S/C6H6BrNS/c7-5-3-9-6(8-5)4-1-2-4/h3-4H,1-2H2
InChIKeyUJFDCZNRQSUMIF-UHFFFAOYSA-N
XLogP2.78
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.09
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Bromo-2-isopropyl-1,3-thiazole
CID 2763182
4-Bromo-2-methyl-1,3-thiazole
CID 2763186
4-Bromo-2-(tert-butyl)thiazole
CID 45787741
4-Bromo-2-(1,1-difluoroethyl)-1,3-thiazole
CID 84792020
2-(4-Bromo-1,3-thiazol-2-yl)acetonitrile
CID 130138905
4-Bromo-2-(2-fluoropropan-2-yl)-1,3-thiazole
CID 84789578
4-Bromo-2-(sec-butyl)thiazole
CID 10889421
4-Bromo-2-butyl-1,3-thiazole
CID 11096125
4-Bromo-2-(iso-butyl)thiazole
CID 10932955
4-Bromo-2-ethylthiazole
CID 18761614
4-Bromo-2-(1-fluoroethyl)-1,3-thiazole
CID 119085270
4-Bromo-2-isopropenyl-1,3-thiazole
CID 11229471

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-cyclopropyl-1,3-thiazole?
The IUPAC name of 4-bromo-2-cyclopropyl-1,3-thiazole (CID 45141884) is 4-bromo-2-cyclopropyl-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-cyclopropyl-1,3-thiazole?
The canonical SMILES for 4-bromo-2-cyclopropyl-1,3-thiazole is Brc1csc(C2CC2)n1.
What is the InChIKey of 4-bromo-2-cyclopropyl-1,3-thiazole?
The InChIKey is UJFDCZNRQSUMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrNS/c7-5-3-9-6(8-5)4-1-2-4/h3-4H,1-2H2.
What are the key properties of 4-bromo-2-cyclopropyl-1,3-thiazole?
4-bromo-2-cyclopropyl-1,3-thiazole has a molecular weight of 204.09 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-cyclopropyl-1,3-thiazole is sourced from PubChem (CID 45141884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).