7-[[2-(1-ethoxyethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-1,8-naphthyridine-3-carboxylic acid

C18H18N4O4S — CID 167944114

IUPAC7-[[2-(1-ethoxyethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-1,8-naphthyridine-3-carboxylic acid
SMILESCCOC(C)c1nc(C)c(C(=O)Nc2ccc3cc(C(=O)O)cnc3n2)s1
InChIInChI=1S/C18H18N4O4S/c1-4-26-10(3)17-20-9(2)14(27-17)16(23)22-13-6-5-11-7-12(18(24)25)8-19-15(11)21-13/h5-8,10H,4H2,1-3H3,(H,24,25)(H,19,21,22,23)
InChIKeyVUFWLXHGDIJNNQ-UHFFFAOYSA-N
MW386.43 g/mol
LogP3.44
Rot. Bonds6

About 7-[[2-(1-ethoxyethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-1,8-naphthyridine-3-carboxylic acid

7-[[2-(1-ethoxyethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-1,8-naphthyridine-3-carboxylic acid (PubChem CID 167944114) has the molecular formula C18H18N4O4S and a molecular weight of 386.43 g/mol. Its IUPAC name is 7-[[2-(1-ethoxyethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-[[2-(1-ethoxyethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-1,8-naphthyridine-3-carboxylic acid
PubChem CID167944114
Molecular FormulaC18H18N4O4S
Molecular Weight386.43 g/mol
Exact Mass386.10
IUPAC Name7-[[2-(1-ethoxyethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-1,8-naphthyridine-3-carboxylic acid
SMILESCCOC(C)c1nc(C)c(C(=O)Nc2ccc3cc(C(=O)O)cnc3n2)s1
InChIInChI=1S/C18H18N4O4S/c1-4-26-10(3)17-20-9(2)14(27-17)16(23)22-13-6-5-11-7-12(18(24)25)8-19-15(11)21-13/h5-8,10H,4H2,1-3H3,(H,24,25)(H,19,21,22,23)
InChIKeyVUFWLXHGDIJNNQ-UHFFFAOYSA-N
XLogP3.44
TPSA114.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-[[2-(1-ethoxyethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-1,8-naphthyridine-3-carboxylic acid with MolForge

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Related Compounds

5-[4-(4-Tert-butyl-1,3-thiazol-2-yl)-6-(ethylcarbamoylamino)-3-pyridinyl]pyridine-3-carboxylic acid
CID 25126469
3-amino-5-(1-hydroxyethyl)-6-methyl-N-pyridin-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 155817231
N-[4-[2-(1-hydroxyethyl)-4-[3-(hydroxymethyl)phenyl]-1,3-thiazol-5-yl]-2-pyridinyl]benzamide
CID 90665650
3-[5-(2-Benzamido-4-pyridinyl)-2-(1-hydroxyethyl)-1,3-thiazol-4-yl]benzoic acid
CID 90665654
Methyl 5-[6-(ethylcarbamoylamino)-4-[5-[(2-methoxyethylamino)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridin-3-yl]pyridine-3-carboxylate
CID 67057168
Methyl 5-[6-(ethylcarbamoylamino)-4-[5-(2-methoxyethylcarbamoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridin-3-yl]pyridine-3-carboxylate
CID 67057182
4'-(5-(Cyclohexylcarbamoyl)-4-(trifluoromethyl)thiazol-2-yl)-6'-(3-ethylureido)-3,3'-bipyridine-5-carboxylic acid
CID 67057215
6'-(3-Ethylureido)-4'-(5-(2-morpholinoethylcarbamoyl)-4-(trifluoromethyl)thiazol-2-yl)-3,3'-bipyridine-5-carboxylic acid
CID 67057274
5-(5-Carboxy-3-pyridinyl)-2-(ethylcarbamoylamino)-4-[5-(2-morpholin-4-ylethylcarbamoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxylic acid
CID 67057278
4'-(5-(Cyclopropylcarbamoyl)-4-(trifluoromethyl)thiazol-2-yl)-6'-(3-ethylureido)-3,3'-bipyridine-5-carboxylic acid
CID 67057284
4'-(5-(Cyclopentylcarbamoyl)-4-(trifluoromethyl)thiazol-2-yl)-6'-(3-ethylureido)-3,3'-bipyridine-5-carboxylic acid
CID 67057379
6'-(3-Ethylureido)-4'-(5-(2-methoxyethylcarbamoyl)-4-(trifluoromethyl)thiazol-2-yl)-3,3'-bipyridine-5-carboxylic acid
CID 67057393

Frequently Asked Questions

What is the IUPAC name of 7-[[2-(1-ethoxyethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-[[2-(1-ethoxyethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-1,8-naphthyridine-3-carboxylic acid (CID 167944114) is 7-[[2-(1-ethoxyethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-[[2-(1-ethoxyethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-[[2-(1-ethoxyethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-1,8-naphthyridine-3-carboxylic acid is CCOC(C)c1nc(C)c(C(=O)Nc2ccc3cc(C(=O)O)cnc3n2)s1.
What is the InChIKey of 7-[[2-(1-ethoxyethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is VUFWLXHGDIJNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S/c1-4-26-10(3)17-20-9(2)14(27-17)16(23)22-13-6-5-11-7-12(18(24)25)8-19-15(11)21-13/h5-8,10H,4H2,1-3H3,(H,24,25)(H,19,21,22,23).
What are the key properties of 7-[[2-(1-ethoxyethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-1,8-naphthyridine-3-carboxylic acid?
7-[[2-(1-ethoxyethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 386.43 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(1-ethoxyethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 167944114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).