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

C9H12N2OS — CID 137152368

IUPAC(NE)-N-[[4-(cyclobutylmethyl)-1,3-thiazol-2-yl]methylidene]hydroxylamine
SMILESO/N=C/c1nc(CC2CCC2)cs1
InChIInChI=1S/C9H12N2OS/c12-10-5-9-11-8(6-13-9)4-7-2-1-3-7/h5-7,12H,1-4H2/b10-5+
InChIKeyLMGNLJRTGQDRNR-BJMVGYQFSA-N
MW196.27 g/mol
LogP2.29
Rot. Bonds3

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

(NE)-N-[[4-(cyclobutylmethyl)-1,3-thiazol-2-yl]methylidene]hydroxylamine (PubChem CID 137152368) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is (NE)-N-[[4-(cyclobutylmethyl)-1,3-thiazol-2-yl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[4-(cyclobutylmethyl)-1,3-thiazol-2-yl]methylidene]hydroxylamine
PubChem CID137152368
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Name(NE)-N-[[4-(cyclobutylmethyl)-1,3-thiazol-2-yl]methylidene]hydroxylamine
SMILESO/N=C/c1nc(CC2CCC2)cs1
InChIInChI=1S/C9H12N2OS/c12-10-5-9-11-8(6-13-9)4-7-2-1-3-7/h5-7,12H,1-4H2/b10-5+
InChIKeyLMGNLJRTGQDRNR-BJMVGYQFSA-N
XLogP2.29
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[4-(cyclobutylmethyl)-1,3-thiazol-2-yl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[4-(cyclobutylmethyl)-1,3-thiazol-2-yl]methylidene]hydroxylamine (CID 137152368) is (NE)-N-[[4-(cyclobutylmethyl)-1,3-thiazol-2-yl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[4-(cyclobutylmethyl)-1,3-thiazol-2-yl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[4-(cyclobutylmethyl)-1,3-thiazol-2-yl]methylidene]hydroxylamine is O/N=C/c1nc(CC2CCC2)cs1.
What is the InChIKey of (NE)-N-[[4-(cyclobutylmethyl)-1,3-thiazol-2-yl]methylidene]hydroxylamine?
The InChIKey is LMGNLJRTGQDRNR-BJMVGYQFSA-N. The full InChI is InChI=1S/C9H12N2OS/c12-10-5-9-11-8(6-13-9)4-7-2-1-3-7/h5-7,12H,1-4H2/b10-5+.
What are the key properties of (NE)-N-[[4-(cyclobutylmethyl)-1,3-thiazol-2-yl]methylidene]hydroxylamine?
(NE)-N-[[4-(cyclobutylmethyl)-1,3-thiazol-2-yl]methylidene]hydroxylamine has a molecular weight of 196.27 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[4-(cyclobutylmethyl)-1,3-thiazol-2-yl]methylidene]hydroxylamine is sourced from PubChem (CID 137152368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).