(R)-[(1R,2E,3R)-2-hydrazinylidene-1,3-dimethylcyclohexyl]-(1,3-thiazol-4-yl)methanol

C12H19N3OS — CID 176920739

IUPAC(R)-[(1R,2E,3R)-2-hydrazinylidene-1,3-dimethylcyclohexyl]-(1,3-thiazol-4-yl)methanol
SMILESC[C@@H]1CCC[C@@](C)([C@@H](O)c2cscn2)/C1=N/N
InChIInChI=1S/C12H19N3OS/c1-8-4-3-5-12(2,10(8)15-13)11(16)9-6-17-7-14-9/h6-8,11,16H,3-5,13H2,1-2H3/b15-10+/t8-,11+,12-/m1/s1
InChIKeyTVOXZWVVKMJKPK-DWMODZQKSA-N
MW253.37 g/mol
LogP2.32
Rot. Bonds2

About (R)-[(1R,2E,3R)-2-hydrazinylidene-1,3-dimethylcyclohexyl]-(1,3-thiazol-4-yl)methanol

(R)-[(1R,2E,3R)-2-hydrazinylidene-1,3-dimethylcyclohexyl]-(1,3-thiazol-4-yl)methanol (PubChem CID 176920739) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is (R)-[(1R,2E,3R)-2-hydrazinylidene-1,3-dimethylcyclohexyl]-(1,3-thiazol-4-yl)methanol.

Molecular Properties

Compound Name(R)-[(1R,2E,3R)-2-hydrazinylidene-1,3-dimethylcyclohexyl]-(1,3-thiazol-4-yl)methanol
PubChem CID176920739
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name(R)-[(1R,2E,3R)-2-hydrazinylidene-1,3-dimethylcyclohexyl]-(1,3-thiazol-4-yl)methanol
SMILESC[C@@H]1CCC[C@@](C)([C@@H](O)c2cscn2)/C1=N/N
InChIInChI=1S/C12H19N3OS/c1-8-4-3-5-12(2,10(8)15-13)11(16)9-6-17-7-14-9/h6-8,11,16H,3-5,13H2,1-2H3/b15-10+/t8-,11+,12-/m1/s1
InChIKeyTVOXZWVVKMJKPK-DWMODZQKSA-N
XLogP2.32
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_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 (R)-[(1R,2E,3R)-2-hydrazinylidene-1,3-dimethylcyclohexyl]-(1,3-thiazol-4-yl)methanol?
The IUPAC name of (R)-[(1R,2E,3R)-2-hydrazinylidene-1,3-dimethylcyclohexyl]-(1,3-thiazol-4-yl)methanol (CID 176920739) is (R)-[(1R,2E,3R)-2-hydrazinylidene-1,3-dimethylcyclohexyl]-(1,3-thiazol-4-yl)methanol.
What is the SMILES notation for (R)-[(1R,2E,3R)-2-hydrazinylidene-1,3-dimethylcyclohexyl]-(1,3-thiazol-4-yl)methanol?
The canonical SMILES for (R)-[(1R,2E,3R)-2-hydrazinylidene-1,3-dimethylcyclohexyl]-(1,3-thiazol-4-yl)methanol is C[C@@H]1CCC[C@@](C)([C@@H](O)c2cscn2)/C1=N/N.
What is the InChIKey of (R)-[(1R,2E,3R)-2-hydrazinylidene-1,3-dimethylcyclohexyl]-(1,3-thiazol-4-yl)methanol?
The InChIKey is TVOXZWVVKMJKPK-DWMODZQKSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-8-4-3-5-12(2,10(8)15-13)11(16)9-6-17-7-14-9/h6-8,11,16H,3-5,13H2,1-2H3/b15-10+/t8-,11+,12-/m1/s1.
What are the key properties of (R)-[(1R,2E,3R)-2-hydrazinylidene-1,3-dimethylcyclohexyl]-(1,3-thiazol-4-yl)methanol?
(R)-[(1R,2E,3R)-2-hydrazinylidene-1,3-dimethylcyclohexyl]-(1,3-thiazol-4-yl)methanol has a molecular weight of 253.37 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[(1R,2E,3R)-2-hydrazinylidene-1,3-dimethylcyclohexyl]-(1,3-thiazol-4-yl)methanol is sourced from PubChem (CID 176920739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).