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

C8H13NOS — CID 126985702

IUPAC3-methyl-2-(1,2-thiazol-3-yl)butan-2-ol
SMILESCC(C)C(C)(O)c1ccsn1
InChIInChI=1S/C8H13NOS/c1-6(2)8(3,10)7-4-5-11-9-7/h4-6,10H,1-3H3
InChIKeyYAFSSKQHOGTVPM-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.01
Rot. Bonds2

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

3-methyl-2-(1,2-thiazol-3-yl)butan-2-ol (PubChem CID 126985702) has the molecular formula C8H13NOS and a molecular weight of 171.26 g/mol. Its IUPAC name is 3-methyl-2-(1,2-thiazol-3-yl)butan-2-ol.

Molecular Properties

Compound Name3-methyl-2-(1,2-thiazol-3-yl)butan-2-ol
PubChem CID126985702
Molecular FormulaC8H13NOS
Molecular Weight171.26 g/mol
Exact Mass171.07
IUPAC Name3-methyl-2-(1,2-thiazol-3-yl)butan-2-ol
SMILESCC(C)C(C)(O)c1ccsn1
InChIInChI=1S/C8H13NOS/c1-6(2)8(3,10)7-4-5-11-9-7/h4-6,10H,1-3H3
InChIKeyYAFSSKQHOGTVPM-UHFFFAOYSA-N
XLogP2.01
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-Difluoro-1-(1,2-thiazol-3-yl)cyclohex-2-en-1-ol
CID 165492024
1-(1,2-Thiazol-3-yl)butan-1-ol
CID 130642506
5-Methyl-2-(1,2-thiazol-3-yl)hex-3-yn-2-ol
CID 176629056
2-(1,2-Thiazol-3-yl)propan-2-ol
CID 119097575
(2,2,3,3-Tetramethylcyclopropyl)-(1,2-thiazol-3-yl)methanol
CID 126985705
2,2,3,3-Tetramethyl-1-(1,2-thiazol-3-yl)butan-1-ol
CID 126985711
1-(Oxolan-3-yl)-1-(1,2-thiazol-3-yl)propan-1-ol
CID 126985740
1-Cyclopropyl-2-(1,2-thiazol-3-yl)propan-2-ol
CID 126985747
3-(1,2-Thiazol-3-yl)thiolan-3-ol
CID 126985770
Cyclopropyl(1,2-thiazol-3-yl)methanol
CID 127002567
2-Methoxy-2-methyl-1-(1,2-thiazol-3-yl)propan-1-ol
CID 127002572
4-Methyl-1-(1,2-thiazol-3-yl)cyclohexan-1-ol
CID 127002594

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(1,2-thiazol-3-yl)butan-2-ol?
The IUPAC name of 3-methyl-2-(1,2-thiazol-3-yl)butan-2-ol (CID 126985702) is 3-methyl-2-(1,2-thiazol-3-yl)butan-2-ol.
What is the SMILES notation for 3-methyl-2-(1,2-thiazol-3-yl)butan-2-ol?
The canonical SMILES for 3-methyl-2-(1,2-thiazol-3-yl)butan-2-ol is CC(C)C(C)(O)c1ccsn1.
What is the InChIKey of 3-methyl-2-(1,2-thiazol-3-yl)butan-2-ol?
The InChIKey is YAFSSKQHOGTVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS/c1-6(2)8(3,10)7-4-5-11-9-7/h4-6,10H,1-3H3.
What are the key properties of 3-methyl-2-(1,2-thiazol-3-yl)butan-2-ol?
3-methyl-2-(1,2-thiazol-3-yl)butan-2-ol has a molecular weight of 171.26 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(1,2-thiazol-3-yl)butan-2-ol is sourced from PubChem (CID 126985702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).