(NZ)-N-[(2-phenyl-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine

C19H18N2O4S — CID 53364194

IUPAC(NZ)-N-[(2-phenyl-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine
SMILESCOc1cc(/C(=N/O)c2csc(-c3ccccc3)n2)cc(OC)c1OC
InChIInChI=1S/C19H18N2O4S/c1-23-15-9-13(10-16(24-2)18(15)25-3)17(21-22)14-11-26-19(20-14)12-7-5-4-6-8-12/h4-11,22H,1-3H3/b21-17-
InChIKeySZRQTLVXRKLXJZ-FXBPSFAMSA-N
MW370.43 g/mol
LogP4.06
Rot. Bonds6

About (NZ)-N-[(2-phenyl-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine

(NZ)-N-[(2-phenyl-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine (PubChem CID 53364194) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is (NZ)-N-[(2-phenyl-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(2-phenyl-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine
PubChem CID53364194
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Name(NZ)-N-[(2-phenyl-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine
SMILESCOc1cc(/C(=N/O)c2csc(-c3ccccc3)n2)cc(OC)c1OC
InChIInChI=1S/C19H18N2O4S/c1-23-15-9-13(10-16(24-2)18(15)25-3)17(21-22)14-11-26-19(20-14)12-7-5-4-6-8-12/h4-11,22H,1-3H3/b21-17-
InChIKeySZRQTLVXRKLXJZ-FXBPSFAMSA-N
XLogP4.06
TPSA73.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

[3-(hydroxymethyl)-4,5-dimethoxyphenyl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 118216244
2-methoxy-1-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 130375597
(E)-3-(3,5-dimethoxy-4-methylphenyl)-3-(2-phenyl-1,3-thiazol-4-yl)prop-2-enenitrile
CID 58477922
(NZ)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine
CID 137189891
N'-(4-ethoxy-3-methoxybenzoyl)-2-phenyl-1,3-thiazole-4-carbohydrazide
CID 55438760
4-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]benzene-1,2-diol
CID 18707352
(E)-[(2-phenyl-1,3-oxazol-4-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydrazine
CID 87276449
2-chloro-2-methoxy-2-[2-methoxy-4-(2-phenyl-1,3-thiazole-4-carbonyl)phenyl]acetic acid
CID 175108437
1-ethyl-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111377459
N-(4,5-dimethoxy-2-methylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 51205352
(2-phenyl-1,3-thiazol-4-yl)methyl 3-(3,4,5-trimethoxyphenyl)propanoate
CID 7776265
2-(3,4-dimethoxyphenyl)-4-phenyl-1,3-thiazole
CID 1147052

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(2-phenyl-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(2-phenyl-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine (CID 53364194) is (NZ)-N-[(2-phenyl-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(2-phenyl-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(2-phenyl-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine is COc1cc(/C(=N/O)c2csc(-c3ccccc3)n2)cc(OC)c1OC.
What is the InChIKey of (NZ)-N-[(2-phenyl-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine?
The InChIKey is SZRQTLVXRKLXJZ-FXBPSFAMSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-23-15-9-13(10-16(24-2)18(15)25-3)17(21-22)14-11-26-19(20-14)12-7-5-4-6-8-12/h4-11,22H,1-3H3/b21-17-.
What are the key properties of (NZ)-N-[(2-phenyl-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine?
(NZ)-N-[(2-phenyl-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine has a molecular weight of 370.43 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(2-phenyl-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 53364194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).