2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-(6-methoxy-3-pyridinyl)phenol

C16H15N5O2S — CID 168628387

IUPAC2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-(6-methoxy-3-pyridinyl)phenol
SMILESCOc1ccc(-c2ccc(O)c(C=NNc3nc(N)cs3)c2)cn1
InChIInChI=1S/C16H15N5O2S/c1-23-15-5-3-11(7-18-15)10-2-4-13(22)12(6-10)8-19-21-16-20-14(17)9-24-16/h2-9,22H,17H2,1H3,(H,20,21)
InChIKeyBGTVYZUHVSLPQN-UHFFFAOYSA-N
MW341.40 g/mol
LogP2.95
Rot. Bonds5

About 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-(6-methoxy-3-pyridinyl)phenol

2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-(6-methoxy-3-pyridinyl)phenol (PubChem CID 168628387) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-(6-methoxy-3-pyridinyl)phenol.

Molecular Properties

Compound Name2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-(6-methoxy-3-pyridinyl)phenol
PubChem CID168628387
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC Name2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-(6-methoxy-3-pyridinyl)phenol
SMILESCOc1ccc(-c2ccc(O)c(C=NNc3nc(N)cs3)c2)cn1
InChIInChI=1S/C16H15N5O2S/c1-23-15-5-3-11(7-18-15)10-2-4-13(22)12(6-10)8-19-21-16-20-14(17)9-24-16/h2-9,22H,17H2,1H3,(H,20,21)
InChIKeyBGTVYZUHVSLPQN-UHFFFAOYSA-N
XLogP2.95
TPSA105.65 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-(6-methoxy-3-pyridinyl)phenol?
The IUPAC name of 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-(6-methoxy-3-pyridinyl)phenol (CID 168628387) is 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-(6-methoxy-3-pyridinyl)phenol.
What is the SMILES notation for 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-(6-methoxy-3-pyridinyl)phenol?
The canonical SMILES for 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-(6-methoxy-3-pyridinyl)phenol is COc1ccc(-c2ccc(O)c(C=NNc3nc(N)cs3)c2)cn1.
What is the InChIKey of 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-(6-methoxy-3-pyridinyl)phenol?
The InChIKey is BGTVYZUHVSLPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c1-23-15-5-3-11(7-18-15)10-2-4-13(22)12(6-10)8-19-21-16-20-14(17)9-24-16/h2-9,22H,17H2,1H3,(H,20,21).
What are the key properties of 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-(6-methoxy-3-pyridinyl)phenol?
2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-(6-methoxy-3-pyridinyl)phenol has a molecular weight of 341.40 g/mol, XLogP of 2.95, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-(6-methoxy-3-pyridinyl)phenol is sourced from PubChem (CID 168628387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).