2,5-dibromo-4-propan-2-yl-1,3-thiazole

C6H7Br2NS — CID 66521220

IUPAC2,5-dibromo-4-propan-2-yl-1,3-thiazole
SMILESCC(C)c1nc(Br)sc1Br
InChIInChI=1S/C6H7Br2NS/c1-3(2)4-5(7)10-6(8)9-4/h3H,1-2H3
InChIKeyGWTPSENJWBIAKO-UHFFFAOYSA-N
MW285.00 g/mol
LogP3.79
Rot. Bonds1

About 2,5-dibromo-4-propan-2-yl-1,3-thiazole

2,5-dibromo-4-propan-2-yl-1,3-thiazole (PubChem CID 66521220) has the molecular formula C6H7Br2NS and a molecular weight of 285.00 g/mol. Its IUPAC name is 2,5-dibromo-4-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2,5-dibromo-4-propan-2-yl-1,3-thiazole
PubChem CID66521220
Molecular FormulaC6H7Br2NS
Molecular Weight285.00 g/mol
Exact Mass282.87
IUPAC Name2,5-dibromo-4-propan-2-yl-1,3-thiazole
SMILESCC(C)c1nc(Br)sc1Br
InChIInChI=1S/C6H7Br2NS/c1-3(2)4-5(7)10-6(8)9-4/h3H,1-2H3
InChIKeyGWTPSENJWBIAKO-UHFFFAOYSA-N
XLogP3.79
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.00
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-4-propan-2-yl-1,3-thiazole?
The IUPAC name of 2,5-dibromo-4-propan-2-yl-1,3-thiazole (CID 66521220) is 2,5-dibromo-4-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2,5-dibromo-4-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2,5-dibromo-4-propan-2-yl-1,3-thiazole is CC(C)c1nc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-4-propan-2-yl-1,3-thiazole?
The InChIKey is GWTPSENJWBIAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Br2NS/c1-3(2)4-5(7)10-6(8)9-4/h3H,1-2H3.
What are the key properties of 2,5-dibromo-4-propan-2-yl-1,3-thiazole?
2,5-dibromo-4-propan-2-yl-1,3-thiazole has a molecular weight of 285.00 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 66521220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).