2-[(4-hydroxyphenyl)methyl]-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide

C20H18N2O2S — CID 25018995

IUPAC2-[(4-hydroxyphenyl)methyl]-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide
SMILESO=C(Nc1nccs1)C1(Cc2ccc(O)cc2)Cc2ccccc2C1
InChIInChI=1S/C20H18N2O2S/c23-17-7-5-14(6-8-17)11-20(18(24)22-19-21-9-10-25-19)12-15-3-1-2-4-16(15)13-20/h1-10,23H,11-13H2,(H,21,22,24)
InChIKeyJFJIDJUZQHPUTA-UHFFFAOYSA-N
MW350.44 g/mol
LogP3.82
Rot. Bonds4

About 2-[(4-hydroxyphenyl)methyl]-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide

2-[(4-hydroxyphenyl)methyl]-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide (PubChem CID 25018995) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is 2-[(4-hydroxyphenyl)methyl]-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide.

Molecular Properties

Compound Name2-[(4-hydroxyphenyl)methyl]-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide
PubChem CID25018995
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC Name2-[(4-hydroxyphenyl)methyl]-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide
SMILESO=C(Nc1nccs1)C1(Cc2ccc(O)cc2)Cc2ccccc2C1
InChIInChI=1S/C20H18N2O2S/c23-17-7-5-14(6-8-17)11-20(18(24)22-19-21-9-10-25-19)12-15-3-1-2-4-16(15)13-20/h1-10,23H,11-13H2,(H,21,22,24)
InChIKeyJFJIDJUZQHPUTA-UHFFFAOYSA-N
XLogP3.82
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxyphenyl)methyl]-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide?
The IUPAC name of 2-[(4-hydroxyphenyl)methyl]-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide (CID 25018995) is 2-[(4-hydroxyphenyl)methyl]-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide.
What is the SMILES notation for 2-[(4-hydroxyphenyl)methyl]-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide?
The canonical SMILES for 2-[(4-hydroxyphenyl)methyl]-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide is O=C(Nc1nccs1)C1(Cc2ccc(O)cc2)Cc2ccccc2C1.
What is the InChIKey of 2-[(4-hydroxyphenyl)methyl]-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide?
The InChIKey is JFJIDJUZQHPUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S/c23-17-7-5-14(6-8-17)11-20(18(24)22-19-21-9-10-25-19)12-15-3-1-2-4-16(15)13-20/h1-10,23H,11-13H2,(H,21,22,24).
What are the key properties of 2-[(4-hydroxyphenyl)methyl]-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide?
2-[(4-hydroxyphenyl)methyl]-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide has a molecular weight of 350.44 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxyphenyl)methyl]-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide is sourced from PubChem (CID 25018995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).