N-(2-oxochromen-6-yl)-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide

C22H18N2O4S — CID 71880889

IUPACN-(2-oxochromen-6-yl)-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)Oc1ccc(-c2nc(C(=O)Nc3ccc4oc(=O)ccc4c3)cs2)cc1
InChIInChI=1S/C22H18N2O4S/c1-13(2)27-17-7-3-14(4-8-17)22-24-18(12-29-22)21(26)23-16-6-9-19-15(11-16)5-10-20(25)28-19/h3-13H,1-2H3,(H,23,26)
InChIKeyFGEQWAYBSKFTOS-UHFFFAOYSA-N
MW406.46 g/mol
LogP4.96
Rot. Bonds5

About N-(2-oxochromen-6-yl)-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide

N-(2-oxochromen-6-yl)-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 71880889) has the molecular formula C22H18N2O4S and a molecular weight of 406.46 g/mol. Its IUPAC name is N-(2-oxochromen-6-yl)-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-oxochromen-6-yl)-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID71880889
Molecular FormulaC22H18N2O4S
Molecular Weight406.46 g/mol
Exact Mass406.10
IUPAC NameN-(2-oxochromen-6-yl)-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)Oc1ccc(-c2nc(C(=O)Nc3ccc4oc(=O)ccc4c3)cs2)cc1
InChIInChI=1S/C22H18N2O4S/c1-13(2)27-17-7-3-14(4-8-17)22-24-18(12-29-22)21(26)23-16-6-9-19-15(11-16)5-10-20(25)28-19/h3-13H,1-2H3,(H,23,26)
InChIKeyFGEQWAYBSKFTOS-UHFFFAOYSA-N
XLogP4.96
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-propan-2-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 46065722
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
CID 94798658
2-(aminomethyl)-N-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119707103
2-(4-methylphenyl)-N-[4-(propan-2-ylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 55865804
2-(4-propan-2-yloxyphenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119453009
2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 17392431
2,4-dimethoxy-N-(2-oxochromen-6-yl)benzamide
CID 6459417
2-(4-methoxyphenyl)-N-[3-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 18146251
N-(3-acetamidophenyl)-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46547565
2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-oxochromen-6-yl)propanamide
CID 55978454
2-(4-methoxyphenyl)-N-[3-(pyridine-4-carbonylamino)phenyl]-1,3-thiazole-4-carboxamide
CID 39186590
2-(4-propan-2-yloxyphenyl)-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 71861930

Frequently Asked Questions

What is the IUPAC name of N-(2-oxochromen-6-yl)-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-oxochromen-6-yl)-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide (CID 71880889) is N-(2-oxochromen-6-yl)-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-oxochromen-6-yl)-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-oxochromen-6-yl)-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide is CC(C)Oc1ccc(-c2nc(C(=O)Nc3ccc4oc(=O)ccc4c3)cs2)cc1.
What is the InChIKey of N-(2-oxochromen-6-yl)-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is FGEQWAYBSKFTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4S/c1-13(2)27-17-7-3-14(4-8-17)22-24-18(12-29-22)21(26)23-16-6-9-19-15(11-16)5-10-20(25)28-19/h3-13H,1-2H3,(H,23,26).
What are the key properties of N-(2-oxochromen-6-yl)-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide?
N-(2-oxochromen-6-yl)-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 406.46 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxochromen-6-yl)-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71880889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).