1-(5-chloro-1,3-thiazol-2-yl)-4-methylsulfonylbutan-1-ol

C8H12ClNO3S2 — CID 107124810

IUPAC1-(5-chloro-1,3-thiazol-2-yl)-4-methylsulfonylbutan-1-ol
SMILESCS(=O)(=O)CCCC(O)c1ncc(Cl)s1
InChIInChI=1S/C8H12ClNO3S2/c1-15(12,13)4-2-3-6(11)8-10-5-7(9)14-8/h5-6,11H,2-4H2,1H3
InChIKeyPSFABXCOUDXGTA-UHFFFAOYSA-N
MW269.77 g/mol
LogP1.65
Rot. Bonds5

About 1-(5-chloro-1,3-thiazol-2-yl)-4-methylsulfonylbutan-1-ol

1-(5-chloro-1,3-thiazol-2-yl)-4-methylsulfonylbutan-1-ol (PubChem CID 107124810) has the molecular formula C8H12ClNO3S2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 1-(5-chloro-1,3-thiazol-2-yl)-4-methylsulfonylbutan-1-ol.

Molecular Properties

Compound Name1-(5-chloro-1,3-thiazol-2-yl)-4-methylsulfonylbutan-1-ol
PubChem CID107124810
Molecular FormulaC8H12ClNO3S2
Molecular Weight269.77 g/mol
Exact Mass268.99
IUPAC Name1-(5-chloro-1,3-thiazol-2-yl)-4-methylsulfonylbutan-1-ol
SMILESCS(=O)(=O)CCCC(O)c1ncc(Cl)s1
InChIInChI=1S/C8H12ClNO3S2/c1-15(12,13)4-2-3-6(11)8-10-5-7(9)14-8/h5-6,11H,2-4H2,1H3
InChIKeyPSFABXCOUDXGTA-UHFFFAOYSA-N
XLogP1.65
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3-thiazol-2-yl)-4-methylsulfonylbutan-1-ol?
The IUPAC name of 1-(5-chloro-1,3-thiazol-2-yl)-4-methylsulfonylbutan-1-ol (CID 107124810) is 1-(5-chloro-1,3-thiazol-2-yl)-4-methylsulfonylbutan-1-ol.
What is the SMILES notation for 1-(5-chloro-1,3-thiazol-2-yl)-4-methylsulfonylbutan-1-ol?
The canonical SMILES for 1-(5-chloro-1,3-thiazol-2-yl)-4-methylsulfonylbutan-1-ol is CS(=O)(=O)CCCC(O)c1ncc(Cl)s1.
What is the InChIKey of 1-(5-chloro-1,3-thiazol-2-yl)-4-methylsulfonylbutan-1-ol?
The InChIKey is PSFABXCOUDXGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNO3S2/c1-15(12,13)4-2-3-6(11)8-10-5-7(9)14-8/h5-6,11H,2-4H2,1H3.
What are the key properties of 1-(5-chloro-1,3-thiazol-2-yl)-4-methylsulfonylbutan-1-ol?
1-(5-chloro-1,3-thiazol-2-yl)-4-methylsulfonylbutan-1-ol has a molecular weight of 269.77 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,3-thiazol-2-yl)-4-methylsulfonylbutan-1-ol is sourced from PubChem (CID 107124810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).