ethyl 5-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate

C17H20N4O3S — CID 112528240

IUPACethyl 5-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
SMILESCCOC(=O)N1CCc2c(cncc2C(=O)Nc2nc(C)c(C)s2)C1
InChIInChI=1S/C17H20N4O3S/c1-4-24-17(23)21-6-5-13-12(9-21)7-18-8-14(13)15(22)20-16-19-10(2)11(3)25-16/h7-8H,4-6,9H2,1-3H3,(H,19,20,22)
InChIKeyTWJXBFMIVHTVQQ-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.92
Rot. Bonds3

About ethyl 5-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate

ethyl 5-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate (PubChem CID 112528240) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is ethyl 5-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
PubChem CID112528240
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC Nameethyl 5-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
SMILESCCOC(=O)N1CCc2c(cncc2C(=O)Nc2nc(C)c(C)s2)C1
InChIInChI=1S/C17H20N4O3S/c1-4-24-17(23)21-6-5-13-12(9-21)7-18-8-14(13)15(22)20-16-19-10(2)11(3)25-16/h7-8H,4-6,9H2,1-3H3,(H,19,20,22)
InChIKeyTWJXBFMIVHTVQQ-UHFFFAOYSA-N
XLogP2.92
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 5-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate with MolForge

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Related Compounds

ethyl 5-[(5-methyl-1H-pyrazol-4-yl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112521742
ethyl 5-[(2,3-dimethylphenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112522574
ethyl 5-(1,3-benzoxazol-2-ylcarbamoyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112528189
ethyl 5-[(4-methoxyphenyl)methylcarbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112522018
ethyl 5-(diethylcarbamoyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112530521
ethyl 5-[2-(1,3,5-trimethylpyrazol-4-yl)ethylcarbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112530146
methyl 5-[(2-methylphenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112520462
ethyl 5-[(3-fluorophenyl)methylcarbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112528300
7-acetyl-N-(4-methylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112521061
7-acetyl-N-(4-ethylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112524044
methyl 5-[(2,4-dichlorophenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112523962
N-(1,3-benzothiazol-2-yl)-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112528118

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate?
The IUPAC name of ethyl 5-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate (CID 112528240) is ethyl 5-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate?
The canonical SMILES for ethyl 5-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate is CCOC(=O)N1CCc2c(cncc2C(=O)Nc2nc(C)c(C)s2)C1.
What is the InChIKey of ethyl 5-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate?
The InChIKey is TWJXBFMIVHTVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-4-24-17(23)21-6-5-13-12(9-21)7-18-8-14(13)15(22)20-16-19-10(2)11(3)25-16/h7-8H,4-6,9H2,1-3H3,(H,19,20,22).
What are the key properties of ethyl 5-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate?
ethyl 5-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate has a molecular weight of 360.44 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate is sourced from PubChem (CID 112528240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).