1-[(2Z)-4-methyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazol-3-yl]ethanol

C9H15N3OS — CID 87804609

IUPAC1-[(2Z)-4-methyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazol-3-yl]ethanol
SMILESCC(C)=N/N=c1\scc(C)n1C(C)O
InChIInChI=1S/C9H15N3OS/c1-6(2)10-11-9-12(8(4)13)7(3)5-14-9/h5,8,13H,1-4H3/b11-9-
InChIKeyXAQOCBYLDVEMLT-LUAWRHEFSA-N
MW213.31 g/mol
LogP1.67
Rot. Bonds2

About 1-[(2Z)-4-methyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazol-3-yl]ethanol

1-[(2Z)-4-methyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazol-3-yl]ethanol (PubChem CID 87804609) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 1-[(2Z)-4-methyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazol-3-yl]ethanol.

Molecular Properties

Compound Name1-[(2Z)-4-methyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazol-3-yl]ethanol
PubChem CID87804609
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name1-[(2Z)-4-methyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazol-3-yl]ethanol
SMILESCC(C)=N/N=c1\scc(C)n1C(C)O
InChIInChI=1S/C9H15N3OS/c1-6(2)10-11-9-12(8(4)13)7(3)5-14-9/h5,8,13H,1-4H3/b11-9-
InChIKeyXAQOCBYLDVEMLT-LUAWRHEFSA-N
XLogP1.67
TPSA49.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', '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 1-[(2Z)-4-methyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazol-3-yl]ethanol?
The IUPAC name of 1-[(2Z)-4-methyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazol-3-yl]ethanol (CID 87804609) is 1-[(2Z)-4-methyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazol-3-yl]ethanol.
What is the SMILES notation for 1-[(2Z)-4-methyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazol-3-yl]ethanol?
The canonical SMILES for 1-[(2Z)-4-methyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazol-3-yl]ethanol is CC(C)=N/N=c1\scc(C)n1C(C)O.
What is the InChIKey of 1-[(2Z)-4-methyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazol-3-yl]ethanol?
The InChIKey is XAQOCBYLDVEMLT-LUAWRHEFSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-6(2)10-11-9-12(8(4)13)7(3)5-14-9/h5,8,13H,1-4H3/b11-9-.
What are the key properties of 1-[(2Z)-4-methyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazol-3-yl]ethanol?
1-[(2Z)-4-methyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazol-3-yl]ethanol has a molecular weight of 213.31 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z)-4-methyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazol-3-yl]ethanol is sourced from PubChem (CID 87804609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).