3-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-2-methylpropan-1-ol

C7H10BrNOS2 — CID 79399776

IUPAC3-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-2-methylpropan-1-ol
SMILESCC(CO)CSc1nc(Br)cs1
InChIInChI=1S/C7H10BrNOS2/c1-5(2-10)3-11-7-9-6(8)4-12-7/h4-5,10H,2-3H2,1H3
InChIKeyOOXBREYSINVQLP-UHFFFAOYSA-N
MW268.20 g/mol
LogP2.63
Rot. Bonds4

About 3-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-2-methylpropan-1-ol

3-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-2-methylpropan-1-ol (PubChem CID 79399776) has the molecular formula C7H10BrNOS2 and a molecular weight of 268.20 g/mol. Its IUPAC name is 3-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-2-methylpropan-1-ol
PubChem CID79399776
Molecular FormulaC7H10BrNOS2
Molecular Weight268.20 g/mol
Exact Mass266.94
IUPAC Name3-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-2-methylpropan-1-ol
SMILESCC(CO)CSc1nc(Br)cs1
InChIInChI=1S/C7H10BrNOS2/c1-5(2-10)3-11-7-9-6(8)4-12-7/h4-5,10H,2-3H2,1H3
InChIKeyOOXBREYSINVQLP-UHFFFAOYSA-N
XLogP2.63
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-2-methylpropan-1-ol?
The IUPAC name of 3-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-2-methylpropan-1-ol (CID 79399776) is 3-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-2-methylpropan-1-ol?
The canonical SMILES for 3-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-2-methylpropan-1-ol is CC(CO)CSc1nc(Br)cs1.
What is the InChIKey of 3-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-2-methylpropan-1-ol?
The InChIKey is OOXBREYSINVQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrNOS2/c1-5(2-10)3-11-7-9-6(8)4-12-7/h4-5,10H,2-3H2,1H3.
What are the key properties of 3-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-2-methylpropan-1-ol?
3-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-2-methylpropan-1-ol has a molecular weight of 268.20 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-2-methylpropan-1-ol is sourced from PubChem (CID 79399776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).