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

C9H14ClNO2S — CID 107124879

IUPAC1-(5-chloro-1,3-thiazol-2-yl)-4-methoxy-2-methylbutan-1-ol
SMILESCOCCC(C)C(O)c1ncc(Cl)s1
InChIInChI=1S/C9H14ClNO2S/c1-6(3-4-13-2)8(12)9-11-5-7(10)14-9/h5-6,8,12H,3-4H2,1-2H3
InChIKeyVOZBWCKRERYNPB-UHFFFAOYSA-N
MW235.74 g/mol
LogP2.50
Rot. Bonds5

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

1-(5-chloro-1,3-thiazol-2-yl)-4-methoxy-2-methylbutan-1-ol (PubChem CID 107124879) has the molecular formula C9H14ClNO2S and a molecular weight of 235.74 g/mol. Its IUPAC name is 1-(5-chloro-1,3-thiazol-2-yl)-4-methoxy-2-methylbutan-1-ol.

Molecular Properties

Compound Name1-(5-chloro-1,3-thiazol-2-yl)-4-methoxy-2-methylbutan-1-ol
PubChem CID107124879
Molecular FormulaC9H14ClNO2S
Molecular Weight235.74 g/mol
Exact Mass235.04
IUPAC Name1-(5-chloro-1,3-thiazol-2-yl)-4-methoxy-2-methylbutan-1-ol
SMILESCOCCC(C)C(O)c1ncc(Cl)s1
InChIInChI=1S/C9H14ClNO2S/c1-6(3-4-13-2)8(12)9-11-5-7(10)14-9/h5-6,8,12H,3-4H2,1-2H3
InChIKeyVOZBWCKRERYNPB-UHFFFAOYSA-N
XLogP2.50
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.74
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-Chloro-1,3-thiazol-2-yl)-5,5,5-trifluoropentan-1-ol
CID 107124869
Oxan-4-yl(1,3-thiazol-2-yl)methanol
CID 104077984
2-Amino-1-(5-chloro-1,3-thiazol-2-yl)-4-methylpentan-1-ol
CID 107124478
2-Amino-1-(5-chloro-1,3-thiazol-2-yl)-3-methylbutan-1-ol
CID 107124480
(5-Chloro-1,3-thiazol-2-yl)-(4-ethylcyclohexyl)methanol
CID 107124795
1-(5-Chloro-1,3-thiazol-2-yl)-3-methylbutan-1-ol
CID 107124799
1-(5-Chloro-1,3-thiazol-2-yl)octan-1-ol
CID 107124800
1-(5-Chloro-1,3-thiazol-2-yl)undecan-1-ol
CID 107124805
1-(5-Chloro-1,3-thiazol-2-yl)-2-(oxan-4-yl)ethanol
CID 107124806
1-(5-Chloro-1,3-thiazol-2-yl)-4-methylpentan-1-ol
CID 107124807
1-(5-Chloro-1,3-thiazol-2-yl)-3-(oxolan-2-yl)propan-1-ol
CID 107124812
1-(5-Chloro-1,3-thiazol-2-yl)-3-ethylheptan-1-ol
CID 107124840

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3-thiazol-2-yl)-4-methoxy-2-methylbutan-1-ol?
The IUPAC name of 1-(5-chloro-1,3-thiazol-2-yl)-4-methoxy-2-methylbutan-1-ol (CID 107124879) is 1-(5-chloro-1,3-thiazol-2-yl)-4-methoxy-2-methylbutan-1-ol.
What is the SMILES notation for 1-(5-chloro-1,3-thiazol-2-yl)-4-methoxy-2-methylbutan-1-ol?
The canonical SMILES for 1-(5-chloro-1,3-thiazol-2-yl)-4-methoxy-2-methylbutan-1-ol is COCCC(C)C(O)c1ncc(Cl)s1.
What is the InChIKey of 1-(5-chloro-1,3-thiazol-2-yl)-4-methoxy-2-methylbutan-1-ol?
The InChIKey is VOZBWCKRERYNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClNO2S/c1-6(3-4-13-2)8(12)9-11-5-7(10)14-9/h5-6,8,12H,3-4H2,1-2H3.
What are the key properties of 1-(5-chloro-1,3-thiazol-2-yl)-4-methoxy-2-methylbutan-1-ol?
1-(5-chloro-1,3-thiazol-2-yl)-4-methoxy-2-methylbutan-1-ol has a molecular weight of 235.74 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,3-thiazol-2-yl)-4-methoxy-2-methylbutan-1-ol is sourced from PubChem (CID 107124879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).