2-ethanehydrazonoyl-5-(2-methyl-1,3-thiazol-5-yl)phenol;iodomethane

C13H16IN3OS — CID 167503432

IUPAC2-ethanehydrazonoyl-5-(2-methyl-1,3-thiazol-5-yl)phenol;iodomethane
SMILESC/C(=N\N)c1ccc(-c2cnc(C)s2)cc1O.CI
InChIInChI=1S/C12H13N3OS.CH3I/c1-7(15-13)10-4-3-9(5-11(10)16)12-6-14-8(2)17-12;1-2/h3-6,16H,13H2,1-2H3;1H3/b15-7+;
InChIKeyFXHWOIWEXJDMQS-HAZZGOGXSA-N
MW389.26 g/mol
LogP3.56
Rot. Bonds2

About 2-ethanehydrazonoyl-5-(2-methyl-1,3-thiazol-5-yl)phenol;iodomethane

2-ethanehydrazonoyl-5-(2-methyl-1,3-thiazol-5-yl)phenol;iodomethane (PubChem CID 167503432) has the molecular formula C13H16IN3OS and a molecular weight of 389.26 g/mol. Its IUPAC name is 2-ethanehydrazonoyl-5-(2-methyl-1,3-thiazol-5-yl)phenol;iodomethane.

Molecular Properties

Compound Name2-ethanehydrazonoyl-5-(2-methyl-1,3-thiazol-5-yl)phenol;iodomethane
PubChem CID167503432
Molecular FormulaC13H16IN3OS
Molecular Weight389.26 g/mol
Exact Mass389.01
IUPAC Name2-ethanehydrazonoyl-5-(2-methyl-1,3-thiazol-5-yl)phenol;iodomethane
SMILESC/C(=N\N)c1ccc(-c2cnc(C)s2)cc1O.CI
InChIInChI=1S/C12H13N3OS.CH3I/c1-7(15-13)10-4-3-9(5-11(10)16)12-6-14-8(2)17-12;1-2/h3-6,16H,13H2,1-2H3;1H3/b15-7+;
InChIKeyFXHWOIWEXJDMQS-HAZZGOGXSA-N
XLogP3.56
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.26
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethanehydrazonoyl-5-(2-methyl-1,3-thiazol-5-yl)phenol;iodomethane?
The IUPAC name of 2-ethanehydrazonoyl-5-(2-methyl-1,3-thiazol-5-yl)phenol;iodomethane (CID 167503432) is 2-ethanehydrazonoyl-5-(2-methyl-1,3-thiazol-5-yl)phenol;iodomethane.
What is the SMILES notation for 2-ethanehydrazonoyl-5-(2-methyl-1,3-thiazol-5-yl)phenol;iodomethane?
The canonical SMILES for 2-ethanehydrazonoyl-5-(2-methyl-1,3-thiazol-5-yl)phenol;iodomethane is C/C(=N\N)c1ccc(-c2cnc(C)s2)cc1O.CI.
What is the InChIKey of 2-ethanehydrazonoyl-5-(2-methyl-1,3-thiazol-5-yl)phenol;iodomethane?
The InChIKey is FXHWOIWEXJDMQS-HAZZGOGXSA-N. The full InChI is InChI=1S/C12H13N3OS.CH3I/c1-7(15-13)10-4-3-9(5-11(10)16)12-6-14-8(2)17-12;1-2/h3-6,16H,13H2,1-2H3;1H3/b15-7+;.
What are the key properties of 2-ethanehydrazonoyl-5-(2-methyl-1,3-thiazol-5-yl)phenol;iodomethane?
2-ethanehydrazonoyl-5-(2-methyl-1,3-thiazol-5-yl)phenol;iodomethane has a molecular weight of 389.26 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethanehydrazonoyl-5-(2-methyl-1,3-thiazol-5-yl)phenol;iodomethane is sourced from PubChem (CID 167503432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).