(NZ)-N-(2,2-dimethyl-4-propan-2-yl-1,3-thiazol-5-ylidene)hydroxylamine

C8H14N2OS — CID 137156413

IUPAC(NZ)-N-(2,2-dimethyl-4-propan-2-yl-1,3-thiazol-5-ylidene)hydroxylamine
SMILESCC(C)C1=NC(C)(C)S/C1=N\O
InChIInChI=1S/C8H14N2OS/c1-5(2)6-7(10-11)12-8(3,4)9-6/h5,11H,1-4H3/b10-7-
InChIKeyHYKJOBZNNNTWKX-YFHOEESVSA-N
MW186.28 g/mol
LogP2.35
Rot. Bonds1

About (NZ)-N-(2,2-dimethyl-4-propan-2-yl-1,3-thiazol-5-ylidene)hydroxylamine

(NZ)-N-(2,2-dimethyl-4-propan-2-yl-1,3-thiazol-5-ylidene)hydroxylamine (PubChem CID 137156413) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is (NZ)-N-(2,2-dimethyl-4-propan-2-yl-1,3-thiazol-5-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(2,2-dimethyl-4-propan-2-yl-1,3-thiazol-5-ylidene)hydroxylamine
PubChem CID137156413
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name(NZ)-N-(2,2-dimethyl-4-propan-2-yl-1,3-thiazol-5-ylidene)hydroxylamine
SMILESCC(C)C1=NC(C)(C)S/C1=N\O
InChIInChI=1S/C8H14N2OS/c1-5(2)6-7(10-11)12-8(3,4)9-6/h5,11H,1-4H3/b10-7-
InChIKeyHYKJOBZNNNTWKX-YFHOEESVSA-N
XLogP2.35
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 52.35
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 (NZ)-N-(2,2-dimethyl-4-propan-2-yl-1,3-thiazol-5-ylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(2,2-dimethyl-4-propan-2-yl-1,3-thiazol-5-ylidene)hydroxylamine (CID 137156413) is (NZ)-N-(2,2-dimethyl-4-propan-2-yl-1,3-thiazol-5-ylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(2,2-dimethyl-4-propan-2-yl-1,3-thiazol-5-ylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(2,2-dimethyl-4-propan-2-yl-1,3-thiazol-5-ylidene)hydroxylamine is CC(C)C1=NC(C)(C)S/C1=N\O.
What is the InChIKey of (NZ)-N-(2,2-dimethyl-4-propan-2-yl-1,3-thiazol-5-ylidene)hydroxylamine?
The InChIKey is HYKJOBZNNNTWKX-YFHOEESVSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-5(2)6-7(10-11)12-8(3,4)9-6/h5,11H,1-4H3/b10-7-.
What are the key properties of (NZ)-N-(2,2-dimethyl-4-propan-2-yl-1,3-thiazol-5-ylidene)hydroxylamine?
(NZ)-N-(2,2-dimethyl-4-propan-2-yl-1,3-thiazol-5-ylidene)hydroxylamine has a molecular weight of 186.28 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(2,2-dimethyl-4-propan-2-yl-1,3-thiazol-5-ylidene)hydroxylamine is sourced from PubChem (CID 137156413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).