N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-propan-2-yl-1,3-thiazole-2-carboxamide

C14H15N3O2S — CID 135857179

IUPACN-[(E)-(4-hydroxyphenyl)methylideneamino]-4-propan-2-yl-1,3-thiazole-2-carboxamide
SMILESCC(C)c1csc(C(=O)N/N=C/c2ccc(O)cc2)n1
InChIInChI=1S/C14H15N3O2S/c1-9(2)12-8-20-14(16-12)13(19)17-15-7-10-3-5-11(18)6-4-10/h3-9,18H,1-2H3,(H,17,19)/b15-7+
InChIKeyDWYCLLQLACXFRM-VIZOYTHASA-N
MW289.36 g/mol
LogP2.74
Rot. Bonds4

About N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-propan-2-yl-1,3-thiazole-2-carboxamide

N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-propan-2-yl-1,3-thiazole-2-carboxamide (PubChem CID 135857179) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-propan-2-yl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxyphenyl)methylideneamino]-4-propan-2-yl-1,3-thiazole-2-carboxamide
PubChem CID135857179
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC NameN-[(E)-(4-hydroxyphenyl)methylideneamino]-4-propan-2-yl-1,3-thiazole-2-carboxamide
SMILESCC(C)c1csc(C(=O)N/N=C/c2ccc(O)cc2)n1
InChIInChI=1S/C14H15N3O2S/c1-9(2)12-8-20-14(16-12)13(19)17-15-7-10-3-5-11(18)6-4-10/h3-9,18H,1-2H3,(H,17,19)/b15-7+
InChIKeyDWYCLLQLACXFRM-VIZOYTHASA-N
XLogP2.74
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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 N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-propan-2-yl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-propan-2-yl-1,3-thiazole-2-carboxamide (CID 135857179) is N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-propan-2-yl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-propan-2-yl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-propan-2-yl-1,3-thiazole-2-carboxamide is CC(C)c1csc(C(=O)N/N=C/c2ccc(O)cc2)n1.
What is the InChIKey of N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-propan-2-yl-1,3-thiazole-2-carboxamide?
The InChIKey is DWYCLLQLACXFRM-VIZOYTHASA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-9(2)12-8-20-14(16-12)13(19)17-15-7-10-3-5-11(18)6-4-10/h3-9,18H,1-2H3,(H,17,19)/b15-7+.
What are the key properties of N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-propan-2-yl-1,3-thiazole-2-carboxamide?
N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-propan-2-yl-1,3-thiazole-2-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-propan-2-yl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 135857179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).