4-butyl-N-(2-hydroxyphenyl)-2-methyl-1,3-thiazole-5-carboxamide

C15H18N2O2S — CID 71700870

IUPAC4-butyl-N-(2-hydroxyphenyl)-2-methyl-1,3-thiazole-5-carboxamide
SMILESCCCCc1nc(C)sc1C(=O)Nc1ccccc1O
InChIInChI=1S/C15H18N2O2S/c1-3-4-7-12-14(20-10(2)16-12)15(19)17-11-8-5-6-9-13(11)18/h5-6,8-9,18H,3-4,7H2,1-2H3,(H,17,19)
InChIKeyZPMGCVDEJDKXJR-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.75
Rot. Bonds5

About 4-butyl-N-(2-hydroxyphenyl)-2-methyl-1,3-thiazole-5-carboxamide

4-butyl-N-(2-hydroxyphenyl)-2-methyl-1,3-thiazole-5-carboxamide (PubChem CID 71700870) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 4-butyl-N-(2-hydroxyphenyl)-2-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-butyl-N-(2-hydroxyphenyl)-2-methyl-1,3-thiazole-5-carboxamide
PubChem CID71700870
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name4-butyl-N-(2-hydroxyphenyl)-2-methyl-1,3-thiazole-5-carboxamide
SMILESCCCCc1nc(C)sc1C(=O)Nc1ccccc1O
InChIInChI=1S/C15H18N2O2S/c1-3-4-7-12-14(20-10(2)16-12)15(19)17-11-8-5-6-9-13(11)18/h5-6,8-9,18H,3-4,7H2,1-2H3,(H,17,19)
InChIKeyZPMGCVDEJDKXJR-UHFFFAOYSA-N
XLogP3.75
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(2-hydroxyphenyl)-2-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-butyl-N-(2-hydroxyphenyl)-2-methyl-1,3-thiazole-5-carboxamide (CID 71700870) is 4-butyl-N-(2-hydroxyphenyl)-2-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-butyl-N-(2-hydroxyphenyl)-2-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-butyl-N-(2-hydroxyphenyl)-2-methyl-1,3-thiazole-5-carboxamide is CCCCc1nc(C)sc1C(=O)Nc1ccccc1O.
What is the InChIKey of 4-butyl-N-(2-hydroxyphenyl)-2-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is ZPMGCVDEJDKXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-3-4-7-12-14(20-10(2)16-12)15(19)17-11-8-5-6-9-13(11)18/h5-6,8-9,18H,3-4,7H2,1-2H3,(H,17,19).
What are the key properties of 4-butyl-N-(2-hydroxyphenyl)-2-methyl-1,3-thiazole-5-carboxamide?
4-butyl-N-(2-hydroxyphenyl)-2-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(2-hydroxyphenyl)-2-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71700870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).