5-bromo-2-propan-2-yl-1,3-thiazole

C6H8BrNS — CID 20696775

IUPAC5-bromo-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1ncc(Br)s1
InChIInChI=1S/C6H8BrNS/c1-4(2)6-8-3-5(7)9-6/h3-4H,1-2H3
InChIKeyHQGOGXRYNVVXBY-UHFFFAOYSA-N
MW206.11 g/mol
LogP3.03
Rot. Bonds1

About 5-bromo-2-propan-2-yl-1,3-thiazole

5-bromo-2-propan-2-yl-1,3-thiazole (PubChem CID 20696775) has the molecular formula C6H8BrNS and a molecular weight of 206.11 g/mol. Its IUPAC name is 5-bromo-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name5-bromo-2-propan-2-yl-1,3-thiazole
PubChem CID20696775
Molecular FormulaC6H8BrNS
Molecular Weight206.11 g/mol
Exact Mass204.96
IUPAC Name5-bromo-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1ncc(Br)s1
InChIInChI=1S/C6H8BrNS/c1-4(2)6-8-3-5(7)9-6/h3-4H,1-2H3
InChIKeyHQGOGXRYNVVXBY-UHFFFAOYSA-N
XLogP3.03
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.11
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-propan-2-yl-1,3-thiazole?
The IUPAC name of 5-bromo-2-propan-2-yl-1,3-thiazole (CID 20696775) is 5-bromo-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 5-bromo-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 5-bromo-2-propan-2-yl-1,3-thiazole is CC(C)c1ncc(Br)s1.
What is the InChIKey of 5-bromo-2-propan-2-yl-1,3-thiazole?
The InChIKey is HQGOGXRYNVVXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrNS/c1-4(2)6-8-3-5(7)9-6/h3-4H,1-2H3.
What are the key properties of 5-bromo-2-propan-2-yl-1,3-thiazole?
5-bromo-2-propan-2-yl-1,3-thiazole has a molecular weight of 206.11 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 20696775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).