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

C7H10BrNOS — CID 72965364

IUPAC1-(4-bromo-1,3-thiazol-2-yl)-2-methylpropan-1-ol
SMILESCC(C)C(O)c1nc(Br)cs1
InChIInChI=1S/C7H10BrNOS/c1-4(2)6(10)7-9-5(8)3-11-7/h3-4,6,10H,1-2H3
InChIKeyFAYTXMGRPQSSCA-UHFFFAOYSA-N
MW236.13 g/mol
LogP2.60
Rot. Bonds2

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

1-(4-bromo-1,3-thiazol-2-yl)-2-methylpropan-1-ol (PubChem CID 72965364) has the molecular formula C7H10BrNOS and a molecular weight of 236.13 g/mol. Its IUPAC name is 1-(4-bromo-1,3-thiazol-2-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-1,3-thiazol-2-yl)-2-methylpropan-1-ol
PubChem CID72965364
Molecular FormulaC7H10BrNOS
Molecular Weight236.13 g/mol
Exact Mass234.97
IUPAC Name1-(4-bromo-1,3-thiazol-2-yl)-2-methylpropan-1-ol
SMILESCC(C)C(O)c1nc(Br)cs1
InChIInChI=1S/C7H10BrNOS/c1-4(2)6(10)7-9-5(8)3-11-7/h3-4,6,10H,1-2H3
InChIKeyFAYTXMGRPQSSCA-UHFFFAOYSA-N
XLogP2.60
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.13
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1,3-thiazol-2-yl)-2-methylpropan-1-ol?
The IUPAC name of 1-(4-bromo-1,3-thiazol-2-yl)-2-methylpropan-1-ol (CID 72965364) is 1-(4-bromo-1,3-thiazol-2-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 1-(4-bromo-1,3-thiazol-2-yl)-2-methylpropan-1-ol?
The canonical SMILES for 1-(4-bromo-1,3-thiazol-2-yl)-2-methylpropan-1-ol is CC(C)C(O)c1nc(Br)cs1.
What is the InChIKey of 1-(4-bromo-1,3-thiazol-2-yl)-2-methylpropan-1-ol?
The InChIKey is FAYTXMGRPQSSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrNOS/c1-4(2)6(10)7-9-5(8)3-11-7/h3-4,6,10H,1-2H3.
What are the key properties of 1-(4-bromo-1,3-thiazol-2-yl)-2-methylpropan-1-ol?
1-(4-bromo-1,3-thiazol-2-yl)-2-methylpropan-1-ol has a molecular weight of 236.13 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1,3-thiazol-2-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 72965364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).