N-[1-[5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethylidene]hydroxylamine

C14H16N2O2S — CID 77103658

IUPACN-[1-[5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethylidene]hydroxylamine
SMILESCC(=NO)c1cc(C)ccc1OCc1csc(C)n1
InChIInChI=1S/C14H16N2O2S/c1-9-4-5-14(13(6-9)10(2)16-17)18-7-12-8-19-11(3)15-12/h4-6,8,17H,7H2,1-3H3
InChIKeyKCQCEHIDDZOSIK-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.54
Rot. Bonds4

About N-[1-[5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethylidene]hydroxylamine

N-[1-[5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethylidene]hydroxylamine (PubChem CID 77103658) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-[1-[5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethylidene]hydroxylamine
PubChem CID77103658
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-[1-[5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethylidene]hydroxylamine
SMILESCC(=NO)c1cc(C)ccc1OCc1csc(C)n1
InChIInChI=1S/C14H16N2O2S/c1-9-4-5-14(13(6-9)10(2)16-17)18-7-12-8-19-11(3)15-12/h4-6,8,17H,7H2,1-3H3
InChIKeyKCQCEHIDDZOSIK-UHFFFAOYSA-N
XLogP3.54
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[1-[5-methyl-2-(thiophen-2-ylmethoxy)phenyl]ethylidene]hydroxylamine
CID 43504951
2-methyl-N-[[5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 63327109
(1R)-1-[4-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 55245155
N-[1-[2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-5-methylphenyl]ethylidene]hydroxylamine
CID 77125349
3-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]propan-1-ol
CID 98511673
4-chloro-N'-hydroxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzenecarboximidamide
CID 114323384
N-[1-(2-methoxy-5-methylphenyl)ethylidene]hydroxylamine
CID 74880473
N-[[5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 63326875
N-[[5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 63326800
(NE)-N-[1-[5-methyl-2-(4-methylpentoxy)phenyl]ethylidene]hydroxylamine
CID 83157735
2-methyl-4-[(2-methylphenoxy)methyl]-1,3-thiazole
CID 60645457
(NZ)-N-[1-[2-[(2-chloro-3-fluorophenyl)methoxy]-5-methylphenyl]ethylidene]hydroxylamine
CID 115982997

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethylidene]hydroxylamine?
The IUPAC name of N-[1-[5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethylidene]hydroxylamine (CID 77103658) is N-[1-[5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-[5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethylidene]hydroxylamine?
The canonical SMILES for N-[1-[5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethylidene]hydroxylamine is CC(=NO)c1cc(C)ccc1OCc1csc(C)n1.
What is the InChIKey of N-[1-[5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethylidene]hydroxylamine?
The InChIKey is KCQCEHIDDZOSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-9-4-5-14(13(6-9)10(2)16-17)18-7-12-8-19-11(3)15-12/h4-6,8,17H,7H2,1-3H3.
What are the key properties of N-[1-[5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethylidene]hydroxylamine?
N-[1-[5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethylidene]hydroxylamine has a molecular weight of 276.36 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 77103658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).