(NE)-N-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylidene]hydroxylamine

C9H13N3O2S — CID 55027857

IUPAC(NE)-N-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylidene]hydroxylamine
SMILESCc1nc(N2CCOCC2)sc1/C=N/O
InChIInChI=1S/C9H13N3O2S/c1-7-8(6-10-13)15-9(11-7)12-2-4-14-5-3-12/h6,13H,2-5H2,1H3/b10-6+
InChIKeyZXZQUXRYRBTMJR-UXBLZVDNSA-N
MW227.29 g/mol
LogP1.10
Rot. Bonds2

About (NE)-N-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylidene]hydroxylamine

(NE)-N-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylidene]hydroxylamine (PubChem CID 55027857) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is (NE)-N-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylidene]hydroxylamine
PubChem CID55027857
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name(NE)-N-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylidene]hydroxylamine
SMILESCc1nc(N2CCOCC2)sc1/C=N/O
InChIInChI=1S/C9H13N3O2S/c1-7-8(6-10-13)15-9(11-7)12-2-4-14-5-3-12/h6,13H,2-5H2,1H3/b10-6+
InChIKeyZXZQUXRYRBTMJR-UXBLZVDNSA-N
XLogP1.10
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 (NE)-N-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylidene]hydroxylamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylidene]hydroxylamine (CID 55027857) is (NE)-N-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylidene]hydroxylamine is Cc1nc(N2CCOCC2)sc1/C=N/O.
What is the InChIKey of (NE)-N-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylidene]hydroxylamine?
The InChIKey is ZXZQUXRYRBTMJR-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-7-8(6-10-13)15-9(11-7)12-2-4-14-5-3-12/h6,13H,2-5H2,1H3/b10-6+.
What are the key properties of (NE)-N-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylidene]hydroxylamine?
(NE)-N-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylidene]hydroxylamine has a molecular weight of 227.29 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylidene]hydroxylamine is sourced from PubChem (CID 55027857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).