N-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)hydroxylamine

C10H12N2OS — CID 45077125

IUPACN-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)hydroxylamine
SMILESCCN(O)c1nc2ccc(C)cc2s1
InChIInChI=1S/C10H12N2OS/c1-3-12(13)10-11-8-5-4-7(2)6-9(8)14-10/h4-6,13H,3H2,1-2H3
InChIKeyJIATXCPRQRROFN-UHFFFAOYSA-N
MW208.29 g/mol
LogP2.82
Rot. Bonds2

About N-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)hydroxylamine

N-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)hydroxylamine (PubChem CID 45077125) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is N-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)hydroxylamine.

Molecular Properties

Compound NameN-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)hydroxylamine
PubChem CID45077125
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC NameN-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)hydroxylamine
SMILESCCN(O)c1nc2ccc(C)cc2s1
InChIInChI=1S/C10H12N2OS/c1-3-12(13)10-11-8-5-4-7(2)6-9(8)14-10/h4-6,13H,3H2,1-2H3
InChIKeyJIATXCPRQRROFN-UHFFFAOYSA-N
XLogP2.82
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 52.82
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-(6-methyl-1,3-benzothiazol-2-yl)amino]acetic acid
CID 56724774
methyl-(6-methyl-1,3-benzothiazol-2-yl)cyanamide
CID 45077325
2-ethyl-6-methyl-1,3-benzothiazole
CID 22899424
2-[acetyl-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium
CID 7511144
N,6-dimethyl-N-(pyridin-4-ylmethyl)-1,3-benzothiazol-2-amine
CID 171702591
N-[2-(diethylamino)ethyl]-3,4-dimethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7511175
N-[2-(diethylamino)ethyl]-2-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 16896530
N-[2-(dimethylamino)ethyl]-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7507195
4-(diethylamino)-N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 41344879
4-(diethylamino)-N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44929621
5-chloro-N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide;hydrochloride
CID 44925009
N-[2-(diethylamino)ethyl]-3-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide
CID 43959260

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)hydroxylamine?
The IUPAC name of N-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)hydroxylamine (CID 45077125) is N-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)hydroxylamine.
What is the SMILES notation for N-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)hydroxylamine?
The canonical SMILES for N-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)hydroxylamine is CCN(O)c1nc2ccc(C)cc2s1.
What is the InChIKey of N-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)hydroxylamine?
The InChIKey is JIATXCPRQRROFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-3-12(13)10-11-8-5-4-7(2)6-9(8)14-10/h4-6,13H,3H2,1-2H3.
What are the key properties of N-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)hydroxylamine?
N-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)hydroxylamine has a molecular weight of 208.29 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)hydroxylamine is sourced from PubChem (CID 45077125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).