N-(2-hydroxyethyl)-4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-5-carboxamide

C23H24N2O4S — CID 91754891

IUPACN-(2-hydroxyethyl)-4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-5-carboxamide
SMILESCc1ccccc1C1CCc2cc(Oc3nc(C)c(C(=O)NCCO)s3)ccc2O1
InChIInChI=1S/C23H24N2O4S/c1-14-5-3-4-6-18(14)20-9-7-16-13-17(8-10-19(16)29-20)28-23-25-15(2)21(30-23)22(27)24-11-12-26/h3-6,8,10,13,20,26H,7,9,11-12H2,1-2H3,(H,24,27)
InChIKeyDMIPPPFIKPSSGE-UHFFFAOYSA-N
MW424.52 g/mol
LogP4.34
Rot. Bonds6

About N-(2-hydroxyethyl)-4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-5-carboxamide

N-(2-hydroxyethyl)-4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-5-carboxamide (PubChem CID 91754891) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-5-carboxamide
PubChem CID91754891
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC NameN-(2-hydroxyethyl)-4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-5-carboxamide
SMILESCc1ccccc1C1CCc2cc(Oc3nc(C)c(C(=O)NCCO)s3)ccc2O1
InChIInChI=1S/C23H24N2O4S/c1-14-5-3-4-6-18(14)20-9-7-16-13-17(8-10-19(16)29-20)28-23-25-15(2)21(30-23)22(27)24-11-12-26/h3-6,8,10,13,20,26H,7,9,11-12H2,1-2H3,(H,24,27)
InChIKeyDMIPPPFIKPSSGE-UHFFFAOYSA-N
XLogP4.34
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-5-carboxamide (CID 91754891) is N-(2-hydroxyethyl)-4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-5-carboxamide is Cc1ccccc1C1CCc2cc(Oc3nc(C)c(C(=O)NCCO)s3)ccc2O1.
What is the InChIKey of N-(2-hydroxyethyl)-4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-5-carboxamide?
The InChIKey is DMIPPPFIKPSSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-14-5-3-4-6-18(14)20-9-7-16-13-17(8-10-19(16)29-20)28-23-25-15(2)21(30-23)22(27)24-11-12-26/h3-6,8,10,13,20,26H,7,9,11-12H2,1-2H3,(H,24,27).
What are the key properties of N-(2-hydroxyethyl)-4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-5-carboxamide?
N-(2-hydroxyethyl)-4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-5-carboxamide has a molecular weight of 424.52 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 91754891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).