(1S)-1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexylpropan-1-ol

C12H18BrNOS — CID 129231876

IUPAC(1S)-1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexylpropan-1-ol
SMILESCC[C@@](O)(c1ncc(Br)s1)C1CCCCC1
InChIInChI=1S/C12H18BrNOS/c1-2-12(15,9-6-4-3-5-7-9)11-14-8-10(13)16-11/h8-9,15H,2-7H2,1H3/t12-/m0/s1
InChIKeyJNTROQSWQUZPPC-LBPRGKRZSA-N
MW304.25 g/mol
LogP4.08
Rot. Bonds3

About (1S)-1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexylpropan-1-ol

(1S)-1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexylpropan-1-ol (PubChem CID 129231876) has the molecular formula C12H18BrNOS and a molecular weight of 304.25 g/mol. Its IUPAC name is (1S)-1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexylpropan-1-ol.

Molecular Properties

Compound Name(1S)-1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexylpropan-1-ol
PubChem CID129231876
Molecular FormulaC12H18BrNOS
Molecular Weight304.25 g/mol
Exact Mass303.03
IUPAC Name(1S)-1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexylpropan-1-ol
SMILESCC[C@@](O)(c1ncc(Br)s1)C1CCCCC1
InChIInChI=1S/C12H18BrNOS/c1-2-12(15,9-6-4-3-5-7-9)11-14-8-10(13)16-11/h8-9,15H,2-7H2,1H3/t12-/m0/s1
InChIKeyJNTROQSWQUZPPC-LBPRGKRZSA-N
XLogP4.08
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexylpropan-1-ol?
The IUPAC name of (1S)-1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexylpropan-1-ol (CID 129231876) is (1S)-1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexylpropan-1-ol.
What is the SMILES notation for (1S)-1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexylpropan-1-ol?
The canonical SMILES for (1S)-1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexylpropan-1-ol is CC[C@@](O)(c1ncc(Br)s1)C1CCCCC1.
What is the InChIKey of (1S)-1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexylpropan-1-ol?
The InChIKey is JNTROQSWQUZPPC-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H18BrNOS/c1-2-12(15,9-6-4-3-5-7-9)11-14-8-10(13)16-11/h8-9,15H,2-7H2,1H3/t12-/m0/s1.
What are the key properties of (1S)-1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexylpropan-1-ol?
(1S)-1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexylpropan-1-ol has a molecular weight of 304.25 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexylpropan-1-ol is sourced from PubChem (CID 129231876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).