2-[2-(hydroxyamino)-4-methyl-1,3-thiazol-5-yl]ethanol

C6H10N2O2S — CID 143129524

IUPAC2-[2-(hydroxyamino)-4-methyl-1,3-thiazol-5-yl]ethanol
SMILESCc1nc(NO)sc1CCO
InChIInChI=1S/C6H10N2O2S/c1-4-5(2-3-9)11-6(7-4)8-10/h9-10H,2-3H2,1H3,(H,7,8)
InChIKeyOWMBHBXSJSDDCI-UHFFFAOYSA-N
MW174.22 g/mol
LogP0.79
Rot. Bonds3

About 2-[2-(hydroxyamino)-4-methyl-1,3-thiazol-5-yl]ethanol

2-[2-(hydroxyamino)-4-methyl-1,3-thiazol-5-yl]ethanol (PubChem CID 143129524) has the molecular formula C6H10N2O2S and a molecular weight of 174.22 g/mol. Its IUPAC name is 2-[2-(hydroxyamino)-4-methyl-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[2-(hydroxyamino)-4-methyl-1,3-thiazol-5-yl]ethanol
PubChem CID143129524
Molecular FormulaC6H10N2O2S
Molecular Weight174.22 g/mol
Exact Mass174.05
IUPAC Name2-[2-(hydroxyamino)-4-methyl-1,3-thiazol-5-yl]ethanol
SMILESCc1nc(NO)sc1CCO
InChIInChI=1S/C6H10N2O2S/c1-4-5(2-3-9)11-6(7-4)8-10/h9-10H,2-3H2,1H3,(H,7,8)
InChIKeyOWMBHBXSJSDDCI-UHFFFAOYSA-N
XLogP0.79
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]-5-methylpyridine-3-carboxamide
CID 169090978
2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]acetonitrile
CID 82668899
2-(2-benzyl-4-methyl-1,3-thiazol-5-yl)ethanol
CID 83292082
2-[4-methyl-2-[[4-methyl-5-(2-nitrooxyethyl)-1,3-thiazol-2-yl]amino]-1,3-thiazol-5-yl]ethyl nitrate
CID 11710832
2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]ethanol
CID 116885384
2-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 82093697
1-(5-ethyl-4-methyl-1,3-thiazol-2-yl)-3-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonylurea
CID 42633650
(3S)-N-[5-(3-hydroxypropyl)-4-methyl-1,3-thiazol-2-yl]-3-methylpyrrolidine-1-carboxamide
CID 145485919
1-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]ethanone;2-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 161084330
3-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)propan-1-ol
CID 116885395
[4-methyl-5-(2-phenylethyl)-1,3-thiazol-2-yl]hydrazine
CID 94776574
2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethanol
CID 65169269

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxyamino)-4-methyl-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 2-[2-(hydroxyamino)-4-methyl-1,3-thiazol-5-yl]ethanol (CID 143129524) is 2-[2-(hydroxyamino)-4-methyl-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 2-[2-(hydroxyamino)-4-methyl-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 2-[2-(hydroxyamino)-4-methyl-1,3-thiazol-5-yl]ethanol is Cc1nc(NO)sc1CCO.
What is the InChIKey of 2-[2-(hydroxyamino)-4-methyl-1,3-thiazol-5-yl]ethanol?
The InChIKey is OWMBHBXSJSDDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S/c1-4-5(2-3-9)11-6(7-4)8-10/h9-10H,2-3H2,1H3,(H,7,8).
What are the key properties of 2-[2-(hydroxyamino)-4-methyl-1,3-thiazol-5-yl]ethanol?
2-[2-(hydroxyamino)-4-methyl-1,3-thiazol-5-yl]ethanol has a molecular weight of 174.22 g/mol, XLogP of 0.79, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxyamino)-4-methyl-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 143129524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).