3,3-dimethyl-2-(1,2-thiazol-5-yl)butan-2-ol

C9H15NOS — CID 130914175

IUPAC3,3-dimethyl-2-(1,2-thiazol-5-yl)butan-2-ol
SMILESCC(C)(C)C(C)(O)c1ccns1
InChIInChI=1S/C9H15NOS/c1-8(2,3)9(4,11)7-5-6-10-12-7/h5-6,11H,1-4H3
InChIKeyWHRWSPPNVMVYAQ-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.40
Rot. Bonds1

About 3,3-dimethyl-2-(1,2-thiazol-5-yl)butan-2-ol

3,3-dimethyl-2-(1,2-thiazol-5-yl)butan-2-ol (PubChem CID 130914175) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is 3,3-dimethyl-2-(1,2-thiazol-5-yl)butan-2-ol.

Molecular Properties

Compound Name3,3-dimethyl-2-(1,2-thiazol-5-yl)butan-2-ol
PubChem CID130914175
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name3,3-dimethyl-2-(1,2-thiazol-5-yl)butan-2-ol
SMILESCC(C)(C)C(C)(O)c1ccns1
InChIInChI=1S/C9H15NOS/c1-8(2,3)9(4,11)7-5-6-10-12-7/h5-6,11H,1-4H3
InChIKeyWHRWSPPNVMVYAQ-UHFFFAOYSA-N
XLogP2.40
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 95913778
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CID 164652164
4,4-Difluoro-1-(1,2-thiazol-5-yl)cyclohexan-1-ol
CID 164659228
4,4-Difluoro-1-(1,2-thiazol-5-yl)cyclohex-2-en-1-ol
CID 165497804
4,4-Difluoro-1-[(1,2-thiazol-5-yl)methyl]cyclohex-2-en-1-ol
CID 165497805
2-(Isothiazol-5-YL)propan-2-OL
CID 45158877
1-(Isothiazol-5-yl)ethan-1-ol
CID 119029079
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-Methyl-1-(1,2-thiazol-5-yl)cyclobutan-1-ol
CID 130826090
Cyclopentyl(1,2-thiazol-5-yl)methanol
CID 130826273
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CID 130855942

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-(1,2-thiazol-5-yl)butan-2-ol?
The IUPAC name of 3,3-dimethyl-2-(1,2-thiazol-5-yl)butan-2-ol (CID 130914175) is 3,3-dimethyl-2-(1,2-thiazol-5-yl)butan-2-ol.
What is the SMILES notation for 3,3-dimethyl-2-(1,2-thiazol-5-yl)butan-2-ol?
The canonical SMILES for 3,3-dimethyl-2-(1,2-thiazol-5-yl)butan-2-ol is CC(C)(C)C(C)(O)c1ccns1.
What is the InChIKey of 3,3-dimethyl-2-(1,2-thiazol-5-yl)butan-2-ol?
The InChIKey is WHRWSPPNVMVYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-8(2,3)9(4,11)7-5-6-10-12-7/h5-6,11H,1-4H3.
What are the key properties of 3,3-dimethyl-2-(1,2-thiazol-5-yl)butan-2-ol?
3,3-dimethyl-2-(1,2-thiazol-5-yl)butan-2-ol has a molecular weight of 185.29 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-(1,2-thiazol-5-yl)butan-2-ol is sourced from PubChem (CID 130914175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).