propan-2-yl 2-bromo-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate

C11H16BrNO2S — CID 59226303

IUPACpropan-2-yl 2-bromo-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate
SMILESCC(C)Cc1sc(Br)nc1C(=O)OC(C)C
InChIInChI=1S/C11H16BrNO2S/c1-6(2)5-8-9(13-11(12)16-8)10(14)15-7(3)4/h6-7H,5H2,1-4H3
InChIKeyDVQZYDUSWJFVJB-UHFFFAOYSA-N
MW306.23 g/mol
LogP3.67
Rot. Bonds4

About propan-2-yl 2-bromo-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate

propan-2-yl 2-bromo-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate (PubChem CID 59226303) has the molecular formula C11H16BrNO2S and a molecular weight of 306.23 g/mol. Its IUPAC name is propan-2-yl 2-bromo-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-bromo-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate
PubChem CID59226303
Molecular FormulaC11H16BrNO2S
Molecular Weight306.23 g/mol
Exact Mass305.01
IUPAC Namepropan-2-yl 2-bromo-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate
SMILESCC(C)Cc1sc(Br)nc1C(=O)OC(C)C
InChIInChI=1S/C11H16BrNO2S/c1-6(2)5-8-9(13-11(12)16-8)10(14)15-7(3)4/h6-7H,5H2,1-4H3
InChIKeyDVQZYDUSWJFVJB-UHFFFAOYSA-N
XLogP3.67
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-bromo-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of propan-2-yl 2-bromo-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate (CID 59226303) is propan-2-yl 2-bromo-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for propan-2-yl 2-bromo-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for propan-2-yl 2-bromo-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate is CC(C)Cc1sc(Br)nc1C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-bromo-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate?
The InChIKey is DVQZYDUSWJFVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2S/c1-6(2)5-8-9(13-11(12)16-8)10(14)15-7(3)4/h6-7H,5H2,1-4H3.
What are the key properties of propan-2-yl 2-bromo-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate?
propan-2-yl 2-bromo-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate has a molecular weight of 306.23 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-bromo-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 59226303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).