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

C22H22N2O4S — CID 71509622

IUPACN-(2-hydroxyethyl)-2-[[(2S)-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-5-carboxamide
SMILESCc1ccccc1[C@@H]1CCc2cc(Oc3ncc(C(=O)NCCO)s3)ccc2O1
InChIInChI=1S/C22H22N2O4S/c1-14-4-2-3-5-17(14)19-8-6-15-12-16(7-9-18(15)28-19)27-22-24-13-20(29-22)21(26)23-10-11-25/h2-5,7,9,12-13,19,25H,6,8,10-11H2,1H3,(H,23,26)/t19-/m0/s1
InChIKeyPRYCQPHZDXHIJX-IBGZPJMESA-N
MW410.50 g/mol
LogP4.03
Rot. Bonds6

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

N-(2-hydroxyethyl)-2-[[(2S)-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-5-carboxamide (PubChem CID 71509622) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-[[(2S)-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-[[(2S)-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-5-carboxamide
PubChem CID71509622
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC NameN-(2-hydroxyethyl)-2-[[(2S)-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-5-carboxamide
SMILESCc1ccccc1[C@@H]1CCc2cc(Oc3ncc(C(=O)NCCO)s3)ccc2O1
InChIInChI=1S/C22H22N2O4S/c1-14-4-2-3-5-17(14)19-8-6-15-12-16(7-9-18(15)28-19)27-22-24-13-20(29-22)21(26)23-10-11-25/h2-5,7,9,12-13,19,25H,6,8,10-11H2,1H3,(H,23,26)/t19-/m0/s1
InChIKeyPRYCQPHZDXHIJX-IBGZPJMESA-N
XLogP4.03
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-[[(2S)-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-2-[[(2S)-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-5-carboxamide (CID 71509622) is N-(2-hydroxyethyl)-2-[[(2S)-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)-2-[[(2S)-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-[[(2S)-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-5-carboxamide is Cc1ccccc1[C@@H]1CCc2cc(Oc3ncc(C(=O)NCCO)s3)ccc2O1.
What is the InChIKey of N-(2-hydroxyethyl)-2-[[(2S)-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-5-carboxamide?
The InChIKey is PRYCQPHZDXHIJX-IBGZPJMESA-N. The full InChI is InChI=1S/C22H22N2O4S/c1-14-4-2-3-5-17(14)19-8-6-15-12-16(7-9-18(15)28-19)27-22-24-13-20(29-22)21(26)23-10-11-25/h2-5,7,9,12-13,19,25H,6,8,10-11H2,1H3,(H,23,26)/t19-/m0/s1.
What are the key properties of N-(2-hydroxyethyl)-2-[[(2S)-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-5-carboxamide?
N-(2-hydroxyethyl)-2-[[(2S)-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-5-carboxamide has a molecular weight of 410.50 g/mol, XLogP of 4.03, 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-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71509622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).