2,2-dimethyl-1-(1,2-thiazol-5-yl)butan-1-ol

C9H15NOS — CID 131172123

IUPAC2,2-dimethyl-1-(1,2-thiazol-5-yl)butan-1-ol
SMILESCCC(C)(C)C(O)c1ccns1
InChIInChI=1S/C9H15NOS/c1-4-9(2,3)8(11)7-5-6-10-12-7/h5-6,8,11H,4H2,1-3H3
InChIKeyQNQDGKRQNVFEGU-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.61
Rot. Bonds3

About 2,2-dimethyl-1-(1,2-thiazol-5-yl)butan-1-ol

2,2-dimethyl-1-(1,2-thiazol-5-yl)butan-1-ol (PubChem CID 131172123) 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-5-yl)butan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-(1,2-thiazol-5-yl)butan-1-ol
PubChem CID131172123
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name2,2-dimethyl-1-(1,2-thiazol-5-yl)butan-1-ol
SMILESCCC(C)(C)C(O)c1ccns1
InChIInChI=1S/C9H15NOS/c1-4-9(2,3)8(11)7-5-6-10-12-7/h5-6,8,11H,4H2,1-3H3
InChIKeyQNQDGKRQNVFEGU-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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Related Compounds

(1R)-1-(1,2-thiazol-5-yl)ethan-1-ol
CID 95913778
(2-Fluoro-5-iodocyclohexa-1,5-dien-1-yl)-(1,2-thiazol-5-yl)methanol
CID 70943225
(3,3-Difluorocyclopentyl)-(1,2-thiazol-5-yl)methanol
CID 130826100
2-(2,2-Difluoro-1-methylcyclopropyl)-1-(1,2-thiazol-5-yl)ethan-1-ol
CID 164652164
4,4-Difluoro-1-(1,2-thiazol-5-yl)cyclohex-2-en-1-ol
CID 165497804
2-(Isothiazol-5-YL)propan-2-OL
CID 45158877
3-Cyclohexyl-1-(1,2-thiazol-5-yl)propan-1-ol
CID 59949219
1-(Isothiazol-5-yl)ethan-1-ol
CID 119029079
1-(4-Methylisothiazol-5-yl)ethan-1-ol
CID 164921472
1,1-Bis(1,2-thiazol-5-yl)ethan-1-ol
CID 27282123
(1S)-1-(1,2-thiazol-5-yl)ethan-1-ol
CID 95913777
2,2-Dimethyl-1-(3-methyl-1,2-thiazol-5-yl)butan-1-ol
CID 130697692

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(1,2-thiazol-5-yl)butan-1-ol?
The IUPAC name of 2,2-dimethyl-1-(1,2-thiazol-5-yl)butan-1-ol (CID 131172123) is 2,2-dimethyl-1-(1,2-thiazol-5-yl)butan-1-ol.
What is the SMILES notation for 2,2-dimethyl-1-(1,2-thiazol-5-yl)butan-1-ol?
The canonical SMILES for 2,2-dimethyl-1-(1,2-thiazol-5-yl)butan-1-ol is CCC(C)(C)C(O)c1ccns1.
What is the InChIKey of 2,2-dimethyl-1-(1,2-thiazol-5-yl)butan-1-ol?
The InChIKey is QNQDGKRQNVFEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-4-9(2,3)8(11)7-5-6-10-12-7/h5-6,8,11H,4H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-(1,2-thiazol-5-yl)butan-1-ol?
2,2-dimethyl-1-(1,2-thiazol-5-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-5-yl)butan-1-ol is sourced from PubChem (CID 131172123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).