(NZ)-N-[1-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]propan-2-ylidene]hydroxylamine

C14H16N2O2S — CID 115495508

IUPAC(NZ)-N-[1-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
SMILESC/C(Cc1ccc(OCc2nc(C)cs2)cc1)=N/O
InChIInChI=1S/C14H16N2O2S/c1-10(16-17)7-12-3-5-13(6-4-12)18-8-14-15-11(2)9-19-14/h3-6,9,17H,7-8H2,1-2H3/b16-10-
InChIKeyATDCOTPFLPGLHR-YBEGLDIGSA-N
MW276.36 g/mol
LogP3.42
Rot. Bonds5

About (NZ)-N-[1-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]propan-2-ylidene]hydroxylamine

(NZ)-N-[1-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]propan-2-ylidene]hydroxylamine (PubChem CID 115495508) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is (NZ)-N-[1-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]propan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
PubChem CID115495508
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name(NZ)-N-[1-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
SMILESC/C(Cc1ccc(OCc2nc(C)cs2)cc1)=N/O
InChIInChI=1S/C14H16N2O2S/c1-10(16-17)7-12-3-5-13(6-4-12)18-8-14-15-11(2)9-19-14/h3-6,9,17H,7-8H2,1-2H3/b16-10-
InChIKeyATDCOTPFLPGLHR-YBEGLDIGSA-N
XLogP3.42
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.42
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

4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole
CID 78998169
(NZ)-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
CID 115495632
N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]aniline
CID 39205098
N-[1-(4-phenylmethoxyphenyl)propan-2-ylidene]hydroxylamine
CID 88750073
N'-hydroxy-2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanimidamide
CID 77103772
(NZ)-N-[1-[4-[(2,6-difluorophenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
CID 114930385
N-benzyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
CID 121094285
2-(4-ethoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 110746438
4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-N-propylbenzamide
CID 121094272
[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 121094251
N-butan-2-yl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
CID 121094276
N-cyclohexyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
CID 121094282

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]propan-2-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]propan-2-ylidene]hydroxylamine (CID 115495508) is (NZ)-N-[1-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]propan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]propan-2-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]propan-2-ylidene]hydroxylamine is C/C(Cc1ccc(OCc2nc(C)cs2)cc1)=N/O.
What is the InChIKey of (NZ)-N-[1-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]propan-2-ylidene]hydroxylamine?
The InChIKey is ATDCOTPFLPGLHR-YBEGLDIGSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-10(16-17)7-12-3-5-13(6-4-12)18-8-14-15-11(2)9-19-14/h3-6,9,17H,7-8H2,1-2H3/b16-10-.
What are the key properties of (NZ)-N-[1-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]propan-2-ylidene]hydroxylamine?
(NZ)-N-[1-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]propan-2-ylidene]hydroxylamine has a molecular weight of 276.36 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]propan-2-ylidene]hydroxylamine is sourced from PubChem (CID 115495508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).