1-(3-methyl-1,2-thiazol-5-yl)butane-1,2-diol

C8H13NO2S — CID 130621249

IUPAC1-(3-methyl-1,2-thiazol-5-yl)butane-1,2-diol
SMILESCCC(O)C(O)c1cc(C)ns1
InChIInChI=1S/C8H13NO2S/c1-3-6(10)8(11)7-4-5(2)9-12-7/h4,6,8,10-11H,3H2,1-2H3
InChIKeyQQPAVVLMWOWWMY-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.26
Rot. Bonds3

About 1-(3-methyl-1,2-thiazol-5-yl)butane-1,2-diol

1-(3-methyl-1,2-thiazol-5-yl)butane-1,2-diol (PubChem CID 130621249) has the molecular formula C8H13NO2S and a molecular weight of 187.26 g/mol. Its IUPAC name is 1-(3-methyl-1,2-thiazol-5-yl)butane-1,2-diol.

Molecular Properties

Compound Name1-(3-methyl-1,2-thiazol-5-yl)butane-1,2-diol
PubChem CID130621249
Molecular FormulaC8H13NO2S
Molecular Weight187.26 g/mol
Exact Mass187.07
IUPAC Name1-(3-methyl-1,2-thiazol-5-yl)butane-1,2-diol
SMILESCCC(O)C(O)c1cc(C)ns1
InChIInChI=1S/C8H13NO2S/c1-3-6(10)8(11)7-4-5(2)9-12-7/h4,6,8,10-11H,3H2,1-2H3
InChIKeyQQPAVVLMWOWWMY-UHFFFAOYSA-N
XLogP1.26
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-1-(3-methyl-1,2-thiazol-5-yl)butan-1-ol
CID 130697692
3-methyl-5-propan-2-yl-1,2-thiazole
CID 20605583
(2-methylfuran-3-yl)-(3-methyl-1,2-thiazol-5-yl)methanol
CID 130906086
2-(azetidin-1-yl)-1-(3-methyl-1,2-thiazol-5-yl)ethanol
CID 130935016
(4-fluorophenyl)-(3-methyl-1,2-thiazol-5-yl)methanol
CID 119094110
(S)-(3,4-dimethylphenyl)-(3-methyl-1,2-thiazol-5-yl)methanol
CID 129323058
6-bicyclo[3.1.0]hexanyl-(3-methyl-1,2-thiazol-5-yl)methanol
CID 130639381
1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butane-1,2-diol
CID 106782928
N,N-dimethyl-1-(3-methyl-1,2-thiazol-5-yl)ethane-1,2-diamine
CID 82406034
1,4-dithian-2-yl-(3-methyl-1,2-thiazol-5-yl)methanol
CID 130905277
(3-methyl-1,2-thiazol-5-yl)-(thian-2-yl)methanol
CID 130735930
cyclopropyl-(3-methyl-1,2-thiazol-5-yl)methanamine
CID 126971442

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2-thiazol-5-yl)butane-1,2-diol?
The IUPAC name of 1-(3-methyl-1,2-thiazol-5-yl)butane-1,2-diol (CID 130621249) is 1-(3-methyl-1,2-thiazol-5-yl)butane-1,2-diol.
What is the SMILES notation for 1-(3-methyl-1,2-thiazol-5-yl)butane-1,2-diol?
The canonical SMILES for 1-(3-methyl-1,2-thiazol-5-yl)butane-1,2-diol is CCC(O)C(O)c1cc(C)ns1.
What is the InChIKey of 1-(3-methyl-1,2-thiazol-5-yl)butane-1,2-diol?
The InChIKey is QQPAVVLMWOWWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S/c1-3-6(10)8(11)7-4-5(2)9-12-7/h4,6,8,10-11H,3H2,1-2H3.
What are the key properties of 1-(3-methyl-1,2-thiazol-5-yl)butane-1,2-diol?
1-(3-methyl-1,2-thiazol-5-yl)butane-1,2-diol has a molecular weight of 187.26 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2-thiazol-5-yl)butane-1,2-diol is sourced from PubChem (CID 130621249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).