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

C21H20N2O4S — CID 91754897

IUPACN-(2-hydroxyethyl)-2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-4-carboxamide
SMILESO=C(NCCO)c1csc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)n1
InChIInChI=1S/C21H20N2O4S/c24-11-10-22-20(25)17-13-28-21(23-17)26-16-7-9-19-15(12-16)6-8-18(27-19)14-4-2-1-3-5-14/h1-5,7,9,12-13,18,24H,6,8,10-11H2,(H,22,25)/t18-/m0/s1
InChIKeyZLDIHGIQDUJENS-SFHVURJKSA-N
MW396.47 g/mol
LogP3.72
Rot. Bonds6

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

N-(2-hydroxyethyl)-2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-4-carboxamide (PubChem CID 91754897) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-4-carboxamide
PubChem CID91754897
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC NameN-(2-hydroxyethyl)-2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-4-carboxamide
SMILESO=C(NCCO)c1csc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)n1
InChIInChI=1S/C21H20N2O4S/c24-11-10-22-20(25)17-13-28-21(23-17)26-16-7-9-19-15(12-16)6-8-18(27-19)14-4-2-1-3-5-14/h1-5,7,9,12-13,18,24H,6,8,10-11H2,(H,22,25)/t18-/m0/s1
InChIKeyZLDIHGIQDUJENS-SFHVURJKSA-N
XLogP3.72
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-N-propyl-1,3-thiazole-4-carboxamide
CID 71292775
2-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]-1,3-thiazole-4-carboxamide
CID 91754798
N-(2-hydroxyethyl)-4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-5-carboxamide
CID 91754891
N-[2-(2-oxoimidazolidin-1-yl)ethyl]-2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-4-carboxamide
CID 91754898
N-cyclopropyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 24712420
{2-[(2,3-Dimethylphenoxy)methyl]-1,3-thiazol-4-yl}(morpholino)methanone
CID 24713013
2-[(2,4-dimethylphenoxy)methyl]-N-ethyl-1,3-thiazole-4-carboxamide
CID 24712417
2-[(2,3-dimethylphenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 24712428
N-cyclopropyl-2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 24712604
2-[(3-Methylphenoxy)methyl]-N-(propan-2-YL)-1,3-thiazole-4-carboxamide
CID 24712636
N-cyclopropyl-2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 24712812
2-[(2,3-dimethylphenoxy)methyl]-N-ethyl-1,3-thiazole-4-carboxamide
CID 24712813

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-4-carboxamide (CID 91754897) is N-(2-hydroxyethyl)-2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-4-carboxamide is O=C(NCCO)c1csc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)n1.
What is the InChIKey of N-(2-hydroxyethyl)-2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-4-carboxamide?
The InChIKey is ZLDIHGIQDUJENS-SFHVURJKSA-N. The full InChI is InChI=1S/C21H20N2O4S/c24-11-10-22-20(25)17-13-28-21(23-17)26-16-7-9-19-15(12-16)6-8-18(27-19)14-4-2-1-3-5-14/h1-5,7,9,12-13,18,24H,6,8,10-11H2,(H,22,25)/t18-/m0/s1.
What are the key properties of N-(2-hydroxyethyl)-2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-4-carboxamide?
N-(2-hydroxyethyl)-2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-4-carboxamide has a molecular weight of 396.47 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 91754897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).