N-[[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]methylidene]hydroxylamine;hydrochloride

C11H12ClN3OS — CID 162391934

IUPACN-[[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]methylidene]hydroxylamine;hydrochloride
SMILESCl.ON=Cc1csc(CCc2ccncc2)n1
InChIInChI=1S/C11H11N3OS.ClH/c15-13-7-10-8-16-11(14-10)2-1-9-3-5-12-6-4-9;/h3-8,15H,1-2H2;1H
InChIKeyNHBAKSSCBZEFKQ-UHFFFAOYSA-N
MW269.76 g/mol
LogP2.55
Rot. Bonds4

About N-[[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]methylidene]hydroxylamine;hydrochloride

N-[[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]methylidene]hydroxylamine;hydrochloride (PubChem CID 162391934) has the molecular formula C11H12ClN3OS and a molecular weight of 269.76 g/mol. Its IUPAC name is N-[[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]methylidene]hydroxylamine;hydrochloride.

Molecular Properties

Compound NameN-[[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]methylidene]hydroxylamine;hydrochloride
PubChem CID162391934
Molecular FormulaC11H12ClN3OS
Molecular Weight269.76 g/mol
Exact Mass269.04
IUPAC NameN-[[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]methylidene]hydroxylamine;hydrochloride
SMILESCl.ON=Cc1csc(CCc2ccncc2)n1
InChIInChI=1S/C11H11N3OS.ClH/c15-13-7-10-8-16-11(14-10)2-1-9-3-5-12-6-4-9;/h3-8,15H,1-2H2;1H
InChIKeyNHBAKSSCBZEFKQ-UHFFFAOYSA-N
XLogP2.55
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.76
LogP ≤ 52.55
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'}

Analyze N-[[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]methylidene]hydroxylamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(NE)-N-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methylidene]hydroxylamine
CID 166874221
2-(pyridin-4-ylmethyl)-1,3-thiazole-4-carbaldehyde
CID 62551222
4-(2-pyridin-4-ylethyl)pyridine;hydrochloride
CID 18530302
4-(2-pyridin-4-ylethyl)pyridine;dihydrochloride
CID 131859960
N-(4-fluorophenyl)-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389679
N-(pyridin-4-ylmethylidene)hydroxylamine
CID 159045467
(NE)-N-[[4-(2-pyridin-3-ylethyl)-1,3-thiazol-2-yl]methylidene]hydroxylamine
CID 168824413
4-(2-pyridin-4-ylethyl)pyridine;4-(3-pyridin-4-ylpropyl)pyridine
CID 161134187
N-(4-methoxyphenyl)-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389689
2-(2-aminoethyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120639332
[4-(pyridin-4-ylmethyl)-1,3-thiazol-2-yl]methanol
CID 167449107
N-(5-chloro-2-methylphenyl)-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389683

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]methylidene]hydroxylamine;hydrochloride?
The IUPAC name of N-[[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]methylidene]hydroxylamine;hydrochloride (CID 162391934) is N-[[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]methylidene]hydroxylamine;hydrochloride.
What is the SMILES notation for N-[[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]methylidene]hydroxylamine;hydrochloride?
The canonical SMILES for N-[[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]methylidene]hydroxylamine;hydrochloride is Cl.ON=Cc1csc(CCc2ccncc2)n1.
What is the InChIKey of N-[[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]methylidene]hydroxylamine;hydrochloride?
The InChIKey is NHBAKSSCBZEFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS.ClH/c15-13-7-10-8-16-11(14-10)2-1-9-3-5-12-6-4-9;/h3-8,15H,1-2H2;1H.
What are the key properties of N-[[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]methylidene]hydroxylamine;hydrochloride?
N-[[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]methylidene]hydroxylamine;hydrochloride has a molecular weight of 269.76 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]methylidene]hydroxylamine;hydrochloride is sourced from PubChem (CID 162391934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).