2,2-dimethyl-1-(1,2-thiazol-3-yl)butan-1-ol

C9H15NOS — CID 130727781

IUPAC2,2-dimethyl-1-(1,2-thiazol-3-yl)butan-1-ol
SMILESCCC(C)(C)C(O)c1ccsn1
InChIInChI=1S/C9H15NOS/c1-4-9(2,3)8(11)7-5-6-12-10-7/h5-6,8,11H,4H2,1-3H3
InChIKeyOATMFDWHWYNQRE-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.61
Rot. Bonds3

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

2,2-dimethyl-1-(1,2-thiazol-3-yl)butan-1-ol (PubChem CID 130727781) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is 2,2-dimethyl-1-(1,2-thiazol-3-yl)butan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-(1,2-thiazol-3-yl)butan-1-ol
PubChem CID130727781
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name2,2-dimethyl-1-(1,2-thiazol-3-yl)butan-1-ol
SMILESCCC(C)(C)C(O)c1ccsn1
InChIInChI=1S/C9H15NOS/c1-4-9(2,3)8(11)7-5-6-12-10-7/h5-6,8,11H,4H2,1-3H3
InChIKeyOATMFDWHWYNQRE-UHFFFAOYSA-N
XLogP2.61
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(1,2-thiazol-3-yl)butan-1-ol?
The IUPAC name of 2,2-dimethyl-1-(1,2-thiazol-3-yl)butan-1-ol (CID 130727781) is 2,2-dimethyl-1-(1,2-thiazol-3-yl)butan-1-ol.
What is the SMILES notation for 2,2-dimethyl-1-(1,2-thiazol-3-yl)butan-1-ol?
The canonical SMILES for 2,2-dimethyl-1-(1,2-thiazol-3-yl)butan-1-ol is CCC(C)(C)C(O)c1ccsn1.
What is the InChIKey of 2,2-dimethyl-1-(1,2-thiazol-3-yl)butan-1-ol?
The InChIKey is OATMFDWHWYNQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-4-9(2,3)8(11)7-5-6-12-10-7/h5-6,8,11H,4H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-(1,2-thiazol-3-yl)butan-1-ol?
2,2-dimethyl-1-(1,2-thiazol-3-yl)butan-1-ol has a molecular weight of 185.29 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(1,2-thiazol-3-yl)butan-1-ol is sourced from PubChem (CID 130727781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).