1-(4-ethyl-1,3-thiazol-2-yl)butan-2-ol

C9H15NOS — CID 63201551

IUPAC1-(4-ethyl-1,3-thiazol-2-yl)butan-2-ol
SMILESCCc1csc(CC(O)CC)n1
InChIInChI=1S/C9H15NOS/c1-3-7-6-12-9(10-7)5-8(11)4-2/h6,8,11H,3-5H2,1-2H3
InChIKeyXULHFRRYBOCMJH-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.02
Rot. Bonds4

About 1-(4-ethyl-1,3-thiazol-2-yl)butan-2-ol

1-(4-ethyl-1,3-thiazol-2-yl)butan-2-ol (PubChem CID 63201551) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is 1-(4-ethyl-1,3-thiazol-2-yl)butan-2-ol.

Molecular Properties

Compound Name1-(4-ethyl-1,3-thiazol-2-yl)butan-2-ol
PubChem CID63201551
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name1-(4-ethyl-1,3-thiazol-2-yl)butan-2-ol
SMILESCCc1csc(CC(O)CC)n1
InChIInChI=1S/C9H15NOS/c1-3-7-6-12-9(10-7)5-8(11)4-2/h6,8,11H,3-5H2,1-2H3
InChIKeyXULHFRRYBOCMJH-UHFFFAOYSA-N
XLogP2.02
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(4-ethyl-1,3-thiazol-2-yl)butan-2-amine
CID 63202023
2-(2-chloropentyl)-4-ethyl-1,3-thiazole
CID 63203067
6-[(2-ethyl-1,3-thiazol-4-yl)methylamino]hexan-3-ol
CID 115654661
1-(4-ethyl-1,3-thiazol-2-yl)-3-methylbutan-2-one
CID 63199048
3-(4-ethyl-1,3-thiazol-2-yl)propanoic acid
CID 39237748
2-(2-ethyl-1,3-thiazol-4-yl)ethanol
CID 55264368
[1-[(4-ethyl-1,3-thiazol-2-yl)methyl]cyclopropyl]methanol
CID 116969329
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 62544830
2-(4-ethyl-1,3-thiazol-2-yl)acetamide
CID 116970126
1-cyclopropyl-N-ethyl-2-(4-ethyl-1,3-thiazol-2-yl)ethanamine
CID 63355477
1-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63349527
1-(4-propyl-1,3-thiazol-2-yl)propan-2-amine
CID 62652679

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-1,3-thiazol-2-yl)butan-2-ol?
The IUPAC name of 1-(4-ethyl-1,3-thiazol-2-yl)butan-2-ol (CID 63201551) is 1-(4-ethyl-1,3-thiazol-2-yl)butan-2-ol.
What is the SMILES notation for 1-(4-ethyl-1,3-thiazol-2-yl)butan-2-ol?
The canonical SMILES for 1-(4-ethyl-1,3-thiazol-2-yl)butan-2-ol is CCc1csc(CC(O)CC)n1.
What is the InChIKey of 1-(4-ethyl-1,3-thiazol-2-yl)butan-2-ol?
The InChIKey is XULHFRRYBOCMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-3-7-6-12-9(10-7)5-8(11)4-2/h6,8,11H,3-5H2,1-2H3.
What are the key properties of 1-(4-ethyl-1,3-thiazol-2-yl)butan-2-ol?
1-(4-ethyl-1,3-thiazol-2-yl)butan-2-ol has a molecular weight of 185.29 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-1,3-thiazol-2-yl)butan-2-ol is sourced from PubChem (CID 63201551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).