4-methyl-2-[2-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-1,3-thiazole-5-carboxylic acid

C21H22N2O4S — CID 22682033

IUPAC4-methyl-2-[2-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(-c2c(OCCN3CCOCC3)ccc3ccccc23)sc1C(=O)O
InChIInChI=1S/C21H22N2O4S/c1-14-19(21(24)25)28-20(22-14)18-16-5-3-2-4-15(16)6-7-17(18)27-13-10-23-8-11-26-12-9-23/h2-7H,8-13H2,1H3,(H,24,25)
InChIKeyLQDGAVXVMFGRLC-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.68
Rot. Bonds6

About 4-methyl-2-[2-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-1,3-thiazole-5-carboxylic acid

4-methyl-2-[2-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-1,3-thiazole-5-carboxylic acid (PubChem CID 22682033) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is 4-methyl-2-[2-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[2-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-1,3-thiazole-5-carboxylic acid
PubChem CID22682033
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC Name4-methyl-2-[2-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(-c2c(OCCN3CCOCC3)ccc3ccccc23)sc1C(=O)O
InChIInChI=1S/C21H22N2O4S/c1-14-19(21(24)25)28-20(22-14)18-16-5-3-2-4-15(16)6-7-17(18)27-13-10-23-8-11-26-12-9-23/h2-7H,8-13H2,1H3,(H,24,25)
InChIKeyLQDGAVXVMFGRLC-UHFFFAOYSA-N
XLogP3.68
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methyl-2-[2-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-1,3-thiazole-5-carboxylic acid with MolForge

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Related Compounds

2-(2-hexoxynaphthalen-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20984783
2-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20992642
2-[2-[2-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-1,3-thiazol-4-yl]acetic acid
CID 20984124
2-(2-methoxynaphthalen-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 4980416
4-methyl-2-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole-5-carboxylic acid
CID 20984058
1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]propane-1,2-dione
CID 58262575
1-(1,3-benzothiazol-2-yl)-3-(4-morpholin-4-ylbutoxy)naphthalene-2-carboxamide
CID 146346236
2-[2-(1,4-oxazepan-4-yl)ethoxy]benzoic acid
CID 55134744
2,2-difluoro-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetic acid
CID 59379811
3-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid
CID 139651729
N,N-dimethyl-2-(2-morpholin-4-ylethoxy)aniline
CID 147491623
[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
CID 18628987

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-[2-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-1,3-thiazole-5-carboxylic acid (CID 22682033) is 4-methyl-2-[2-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[2-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-[2-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-1,3-thiazole-5-carboxylic acid is Cc1nc(-c2c(OCCN3CCOCC3)ccc3ccccc23)sc1C(=O)O.
What is the InChIKey of 4-methyl-2-[2-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is LQDGAVXVMFGRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-14-19(21(24)25)28-20(22-14)18-16-5-3-2-4-15(16)6-7-17(18)27-13-10-23-8-11-26-12-9-23/h2-7H,8-13H2,1H3,(H,24,25).
What are the key properties of 4-methyl-2-[2-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-1,3-thiazole-5-carboxylic acid?
4-methyl-2-[2-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 398.48 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 22682033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).