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

C14H16N2OS — CID 135659468

IUPAC(NE)-N-[[2-tert-butyl-4-(1,3-thiazol-2-yl)phenyl]methylidene]hydroxylamine
SMILESCC(C)(C)c1cc(-c2nccs2)ccc1/C=N/O
InChIInChI=1S/C14H16N2OS/c1-14(2,3)12-8-10(13-15-6-7-18-13)4-5-11(12)9-16-17/h4-9,17H,1-3H3/b16-9+
InChIKeyBKSIOWSSACRGNT-CXUHLZMHSA-N
MW260.36 g/mol
LogP3.92
Rot. Bonds2

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

(NE)-N-[[2-tert-butyl-4-(1,3-thiazol-2-yl)phenyl]methylidene]hydroxylamine (PubChem CID 135659468) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is (NE)-N-[[2-tert-butyl-4-(1,3-thiazol-2-yl)phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[2-tert-butyl-4-(1,3-thiazol-2-yl)phenyl]methylidene]hydroxylamine
PubChem CID135659468
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name(NE)-N-[[2-tert-butyl-4-(1,3-thiazol-2-yl)phenyl]methylidene]hydroxylamine
SMILESCC(C)(C)c1cc(-c2nccs2)ccc1/C=N/O
InChIInChI=1S/C14H16N2OS/c1-14(2,3)12-8-10(13-15-6-7-18-13)4-5-11(12)9-16-17/h4-9,17H,1-3H3/b16-9+
InChIKeyBKSIOWSSACRGNT-CXUHLZMHSA-N
XLogP3.92
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.92
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-[[2-tert-butyl-4-(1,3-thiazol-2-yl)phenyl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[2-tert-butyl-4-(1,3-thiazol-2-yl)phenyl]methylidene]hydroxylamine (CID 135659468) is (NE)-N-[[2-tert-butyl-4-(1,3-thiazol-2-yl)phenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[2-tert-butyl-4-(1,3-thiazol-2-yl)phenyl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[2-tert-butyl-4-(1,3-thiazol-2-yl)phenyl]methylidene]hydroxylamine is CC(C)(C)c1cc(-c2nccs2)ccc1/C=N/O.
What is the InChIKey of (NE)-N-[[2-tert-butyl-4-(1,3-thiazol-2-yl)phenyl]methylidene]hydroxylamine?
The InChIKey is BKSIOWSSACRGNT-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-14(2,3)12-8-10(13-15-6-7-18-13)4-5-11(12)9-16-17/h4-9,17H,1-3H3/b16-9+.
What are the key properties of (NE)-N-[[2-tert-butyl-4-(1,3-thiazol-2-yl)phenyl]methylidene]hydroxylamine?
(NE)-N-[[2-tert-butyl-4-(1,3-thiazol-2-yl)phenyl]methylidene]hydroxylamine has a molecular weight of 260.36 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[2-tert-butyl-4-(1,3-thiazol-2-yl)phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 135659468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).