N-(2-morpholin-4-ylethyl)-2-(naphthalen-1-yloxymethyl)-1,3-thiazole-4-carboxamide

C21H23N3O3S — CID 46003465

IUPACN-(2-morpholin-4-ylethyl)-2-(naphthalen-1-yloxymethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1csc(COc2cccc3ccccc23)n1
InChIInChI=1S/C21H23N3O3S/c25-21(22-8-9-24-10-12-26-13-11-24)18-15-28-20(23-18)14-27-19-7-3-5-16-4-1-2-6-17(16)19/h1-7,15H,8-14H2,(H,22,25)
InChIKeyFARMWUYWRQSIHI-UHFFFAOYSA-N
MW397.50 g/mol
LogP2.94
Rot. Bonds7

About N-(2-morpholin-4-ylethyl)-2-(naphthalen-1-yloxymethyl)-1,3-thiazole-4-carboxamide

N-(2-morpholin-4-ylethyl)-2-(naphthalen-1-yloxymethyl)-1,3-thiazole-4-carboxamide (PubChem CID 46003465) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-2-(naphthalen-1-yloxymethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-2-(naphthalen-1-yloxymethyl)-1,3-thiazole-4-carboxamide
PubChem CID46003465
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC NameN-(2-morpholin-4-ylethyl)-2-(naphthalen-1-yloxymethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1csc(COc2cccc3ccccc23)n1
InChIInChI=1S/C21H23N3O3S/c25-21(22-8-9-24-10-12-26-13-11-24)18-15-28-20(23-18)14-27-19-7-3-5-16-4-1-2-6-17(16)19/h1-7,15H,8-14H2,(H,22,25)
InChIKeyFARMWUYWRQSIHI-UHFFFAOYSA-N
XLogP2.94
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-2-(naphthalen-1-yloxymethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-2-(naphthalen-1-yloxymethyl)-1,3-thiazole-4-carboxamide (CID 46003465) is N-(2-morpholin-4-ylethyl)-2-(naphthalen-1-yloxymethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-2-(naphthalen-1-yloxymethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-2-(naphthalen-1-yloxymethyl)-1,3-thiazole-4-carboxamide is O=C(NCCN1CCOCC1)c1csc(COc2cccc3ccccc23)n1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-2-(naphthalen-1-yloxymethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is FARMWUYWRQSIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c25-21(22-8-9-24-10-12-26-13-11-24)18-15-28-20(23-18)14-27-19-7-3-5-16-4-1-2-6-17(16)19/h1-7,15H,8-14H2,(H,22,25).
What are the key properties of N-(2-morpholin-4-ylethyl)-2-(naphthalen-1-yloxymethyl)-1,3-thiazole-4-carboxamide?
N-(2-morpholin-4-ylethyl)-2-(naphthalen-1-yloxymethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-2-(naphthalen-1-yloxymethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46003465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).