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

C23H24N2O5S — CID 71293127

IUPACN,N-bis(2-hydroxyethyl)-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide
SMILESO=C(c1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1)N(CCO)CCO
InChIInChI=1S/C23H24N2O5S/c26-12-10-25(11-13-27)22(28)21-15-24-23(31-21)29-18-7-9-20-17(14-18)6-8-19(30-20)16-4-2-1-3-5-16/h1-5,7,9,14-15,19,26-27H,6,8,10-13H2
InChIKeyPKMOKNVCGMFVNM-UHFFFAOYSA-N
MW440.52 g/mol
LogP3.43
Rot. Bonds8

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

N,N-bis(2-hydroxyethyl)-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide (PubChem CID 71293127) has the molecular formula C23H24N2O5S and a molecular weight of 440.52 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide
PubChem CID71293127
Molecular FormulaC23H24N2O5S
Molecular Weight440.52 g/mol
Exact Mass440.14
IUPAC NameN,N-bis(2-hydroxyethyl)-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide
SMILESO=C(c1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1)N(CCO)CCO
InChIInChI=1S/C23H24N2O5S/c26-12-10-25(11-13-27)22(28)21-15-24-23(31-21)29-18-7-9-20-17(14-18)6-8-19(30-20)16-4-2-1-3-5-16/h1-5,7,9,14-15,19,26-27H,6,8,10-13H2
InChIKeyPKMOKNVCGMFVNM-UHFFFAOYSA-N
XLogP3.43
TPSA92.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide (CID 71293127) is N,N-bis(2-hydroxyethyl)-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide is O=C(c1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1)N(CCO)CCO.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide?
The InChIKey is PKMOKNVCGMFVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S/c26-12-10-25(11-13-27)22(28)21-15-24-23(31-21)29-18-7-9-20-17(14-18)6-8-19(30-20)16-4-2-1-3-5-16/h1-5,7,9,14-15,19,26-27H,6,8,10-13H2.
What are the key properties of N,N-bis(2-hydroxyethyl)-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide?
N,N-bis(2-hydroxyethyl)-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide has a molecular weight of 440.52 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71293127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).