O-[(2-methyl-1,3-thiazol-5-yl)methyl]hydroxylamine;dihydrochloride

C5H10Cl2N2OS — CID 155978412

IUPACO-[(2-methyl-1,3-thiazol-5-yl)methyl]hydroxylamine;dihydrochloride
SMILESCc1ncc(CON)s1.Cl.Cl
InChIInChI=1S/C5H8N2OS.2ClH/c1-4-7-2-5(9-4)3-8-6;;/h2H,3,6H2,1H3;2*1H
InChIKeyOOGVZUZMBWTZPQ-UHFFFAOYSA-N
MW217.12 g/mol
LogP1.69
Rot. Bonds2

About O-[(2-methyl-1,3-thiazol-5-yl)methyl]hydroxylamine;dihydrochloride

O-[(2-methyl-1,3-thiazol-5-yl)methyl]hydroxylamine;dihydrochloride (PubChem CID 155978412) has the molecular formula C5H10Cl2N2OS and a molecular weight of 217.12 g/mol. Its IUPAC name is O-[(2-methyl-1,3-thiazol-5-yl)methyl]hydroxylamine;dihydrochloride.

Molecular Properties

Compound NameO-[(2-methyl-1,3-thiazol-5-yl)methyl]hydroxylamine;dihydrochloride
PubChem CID155978412
Molecular FormulaC5H10Cl2N2OS
Molecular Weight217.12 g/mol
Exact Mass215.99
IUPAC NameO-[(2-methyl-1,3-thiazol-5-yl)methyl]hydroxylamine;dihydrochloride
SMILESCc1ncc(CON)s1.Cl.Cl
InChIInChI=1S/C5H8N2OS.2ClH/c1-4-7-2-5(9-4)3-8-6;;/h2H,3,6H2,1H3;2*1H
InChIKeyOOGVZUZMBWTZPQ-UHFFFAOYSA-N
XLogP1.69
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.12
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-methyl-1,3-thiazol-5-yl)methyl formate
CID 87091610
N-[(2-methyl-1,3-thiazol-5-yl)methoxy]acetamide
CID 130635341
(2-methyl-1,3-thiazol-5-yl)methanethiol
CID 82514756
5-(bromomethyl)-2-methyl-1,3-thiazole
CID 55250786
(2S)-1-(2-methyl-1,3-thiazol-5-yl)propan-2-amine
CID 95426522
2-[(2-methyl-1,3-thiazol-5-yl)methoxy]acetic acid
CID 53397348
N-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]ethanamine
CID 63020828
5-(azetidin-3-yloxymethyl)-2-methyl-1,3-thiazole
CID 63107388
3-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenol
CID 63020479
3-methyl-4-(2-methyl-1,3-thiazol-5-yl)butan-2-amine
CID 82406413
(1R)-1-[4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanol
CID 63364307
1-[3,5-difluoro-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]propan-2-amine
CID 79888393

Frequently Asked Questions

What is the IUPAC name of O-[(2-methyl-1,3-thiazol-5-yl)methyl]hydroxylamine;dihydrochloride?
The IUPAC name of O-[(2-methyl-1,3-thiazol-5-yl)methyl]hydroxylamine;dihydrochloride (CID 155978412) is O-[(2-methyl-1,3-thiazol-5-yl)methyl]hydroxylamine;dihydrochloride.
What is the SMILES notation for O-[(2-methyl-1,3-thiazol-5-yl)methyl]hydroxylamine;dihydrochloride?
The canonical SMILES for O-[(2-methyl-1,3-thiazol-5-yl)methyl]hydroxylamine;dihydrochloride is Cc1ncc(CON)s1.Cl.Cl.
What is the InChIKey of O-[(2-methyl-1,3-thiazol-5-yl)methyl]hydroxylamine;dihydrochloride?
The InChIKey is OOGVZUZMBWTZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2OS.2ClH/c1-4-7-2-5(9-4)3-8-6;;/h2H,3,6H2,1H3;2*1H.
What are the key properties of O-[(2-methyl-1,3-thiazol-5-yl)methyl]hydroxylamine;dihydrochloride?
O-[(2-methyl-1,3-thiazol-5-yl)methyl]hydroxylamine;dihydrochloride has a molecular weight of 217.12 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(2-methyl-1,3-thiazol-5-yl)methyl]hydroxylamine;dihydrochloride is sourced from PubChem (CID 155978412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).