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

C11H11N3OS — CID 168824413

IUPAC(NE)-N-[[4-(2-pyridin-3-ylethyl)-1,3-thiazol-2-yl]methylidene]hydroxylamine
SMILESO/N=C/c1nc(CCc2cccnc2)cs1
InChIInChI=1S/C11H11N3OS/c15-13-7-11-14-10(8-16-11)4-3-9-2-1-5-12-6-9/h1-2,5-8,15H,3-4H2/b13-7+
InChIKeyDJOORBNXAQSIEV-NTUHNPAUSA-N
MW233.30 g/mol
LogP2.13
Rot. Bonds4

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

(NE)-N-[[4-(2-pyridin-3-ylethyl)-1,3-thiazol-2-yl]methylidene]hydroxylamine (PubChem CID 168824413) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is (NE)-N-[[4-(2-pyridin-3-ylethyl)-1,3-thiazol-2-yl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[4-(2-pyridin-3-ylethyl)-1,3-thiazol-2-yl]methylidene]hydroxylamine
PubChem CID168824413
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name(NE)-N-[[4-(2-pyridin-3-ylethyl)-1,3-thiazol-2-yl]methylidene]hydroxylamine
SMILESO/N=C/c1nc(CCc2cccnc2)cs1
InChIInChI=1S/C11H11N3OS/c15-13-7-11-14-10(8-16-11)4-3-9-2-1-5-12-6-9/h1-2,5-8,15H,3-4H2/b13-7+
InChIKeyDJOORBNXAQSIEV-NTUHNPAUSA-N
XLogP2.13
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.13
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-[[5-(2-pyridin-3-ylethyl)pyrazin-2-yl]methylidene]hydroxylamine
CID 162753346
(NZ)-N-[[2-(4-pyridin-3-ylbut-1-ynyl)-1,3-thiazol-4-yl]methylidene]hydroxylamine;hydrochloride
CID 175867150
N-[[2-(2-pyridin-3-ylethyl)-1,3-oxazol-4-yl]methylidene]hydroxylamine;hydrochloride
CID 168824427
(NZ)-N-[[2-(4-pyridin-3-ylbutyl)-1,3-thiazol-5-yl]methylidene]hydroxylamine;hydrochloride
CID 175911624
2-[2-(pyridin-3-ylmethyl)-1,3-thiazol-4-yl]ethanamine
CID 62929665
3-(2-phenylethyl)pyridine;hydrochloride
CID 71669595
1-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide
CID 111932863
[4-(2-pyridin-3-ylethyl)phenyl]methanol
CID 57319891
2-(2-pyridin-3-ylethyl)-1,3-thiazole
CID 141425533
(NE)-N-[[2-(4-pyridin-3-ylbut-1-ynyl)-1,3-oxazol-4-yl]methylidene]hydroxylamine
CID 168824419
argon;2-pyridin-3-ylethanol
CID 159015973
N-(14-pyridin-3-yltetradec-11-enylidene)hydroxylamine
CID 85169050

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[4-(2-pyridin-3-ylethyl)-1,3-thiazol-2-yl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[4-(2-pyridin-3-ylethyl)-1,3-thiazol-2-yl]methylidene]hydroxylamine (CID 168824413) is (NE)-N-[[4-(2-pyridin-3-ylethyl)-1,3-thiazol-2-yl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[4-(2-pyridin-3-ylethyl)-1,3-thiazol-2-yl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[4-(2-pyridin-3-ylethyl)-1,3-thiazol-2-yl]methylidene]hydroxylamine is O/N=C/c1nc(CCc2cccnc2)cs1.
What is the InChIKey of (NE)-N-[[4-(2-pyridin-3-ylethyl)-1,3-thiazol-2-yl]methylidene]hydroxylamine?
The InChIKey is DJOORBNXAQSIEV-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H11N3OS/c15-13-7-11-14-10(8-16-11)4-3-9-2-1-5-12-6-9/h1-2,5-8,15H,3-4H2/b13-7+.
What are the key properties of (NE)-N-[[4-(2-pyridin-3-ylethyl)-1,3-thiazol-2-yl]methylidene]hydroxylamine?
(NE)-N-[[4-(2-pyridin-3-ylethyl)-1,3-thiazol-2-yl]methylidene]hydroxylamine has a molecular weight of 233.30 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[4-(2-pyridin-3-ylethyl)-1,3-thiazol-2-yl]methylidene]hydroxylamine is sourced from PubChem (CID 168824413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).