N-(5-benzyl-1,3-thiazol-2-yl)-2H-chromene-3-carboxamide

C20H16N2O2S — CID 7465027

IUPACN-(5-benzyl-1,3-thiazol-2-yl)-2H-chromene-3-carboxamide
SMILESO=C(Nc1ncc(Cc2ccccc2)s1)C1=Cc2ccccc2OC1
InChIInChI=1S/C20H16N2O2S/c23-19(16-11-15-8-4-5-9-18(15)24-13-16)22-20-21-12-17(25-20)10-14-6-2-1-3-7-14/h1-9,11-12H,10,13H2,(H,21,22,23)
InChIKeyUWUDDBMXEKROCH-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.15
Rot. Bonds4

About N-(5-benzyl-1,3-thiazol-2-yl)-2H-chromene-3-carboxamide

N-(5-benzyl-1,3-thiazol-2-yl)-2H-chromene-3-carboxamide (PubChem CID 7465027) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-(5-benzyl-1,3-thiazol-2-yl)-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3-thiazol-2-yl)-2H-chromene-3-carboxamide
PubChem CID7465027
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC NameN-(5-benzyl-1,3-thiazol-2-yl)-2H-chromene-3-carboxamide
SMILESO=C(Nc1ncc(Cc2ccccc2)s1)C1=Cc2ccccc2OC1
InChIInChI=1S/C20H16N2O2S/c23-19(16-11-15-8-4-5-9-18(15)24-13-16)22-20-21-12-17(25-20)10-14-6-2-1-3-7-14/h1-9,11-12H,10,13H2,(H,21,22,23)
InChIKeyUWUDDBMXEKROCH-UHFFFAOYSA-N
XLogP4.15
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-2H-chromene-3-carboxamide?
The IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-2H-chromene-3-carboxamide (CID 7465027) is N-(5-benzyl-1,3-thiazol-2-yl)-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(5-benzyl-1,3-thiazol-2-yl)-2H-chromene-3-carboxamide?
The canonical SMILES for N-(5-benzyl-1,3-thiazol-2-yl)-2H-chromene-3-carboxamide is O=C(Nc1ncc(Cc2ccccc2)s1)C1=Cc2ccccc2OC1.
What is the InChIKey of N-(5-benzyl-1,3-thiazol-2-yl)-2H-chromene-3-carboxamide?
The InChIKey is UWUDDBMXEKROCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S/c23-19(16-11-15-8-4-5-9-18(15)24-13-16)22-20-21-12-17(25-20)10-14-6-2-1-3-7-14/h1-9,11-12H,10,13H2,(H,21,22,23).
What are the key properties of N-(5-benzyl-1,3-thiazol-2-yl)-2H-chromene-3-carboxamide?
N-(5-benzyl-1,3-thiazol-2-yl)-2H-chromene-3-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3-thiazol-2-yl)-2H-chromene-3-carboxamide is sourced from PubChem (CID 7465027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).