2-(2-methoxyethyl)-1-oxo-N-(1,3-thiazol-2-yl)isoquinoline-4-carboxamide

C16H15N3O3S — CID 56761267

IUPAC2-(2-methoxyethyl)-1-oxo-N-(1,3-thiazol-2-yl)isoquinoline-4-carboxamide
SMILESCOCCn1cc(C(=O)Nc2nccs2)c2ccccc2c1=O
InChIInChI=1S/C16H15N3O3S/c1-22-8-7-19-10-13(14(20)18-16-17-6-9-23-16)11-4-2-3-5-12(11)15(19)21/h2-6,9-10H,7-8H2,1H3,(H,17,18,20)
InChIKeyIUYQMOBRDFWZBZ-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.36
Rot. Bonds5

About 2-(2-methoxyethyl)-1-oxo-N-(1,3-thiazol-2-yl)isoquinoline-4-carboxamide

2-(2-methoxyethyl)-1-oxo-N-(1,3-thiazol-2-yl)isoquinoline-4-carboxamide (PubChem CID 56761267) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-1-oxo-N-(1,3-thiazol-2-yl)isoquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyethyl)-1-oxo-N-(1,3-thiazol-2-yl)isoquinoline-4-carboxamide
PubChem CID56761267
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name2-(2-methoxyethyl)-1-oxo-N-(1,3-thiazol-2-yl)isoquinoline-4-carboxamide
SMILESCOCCn1cc(C(=O)Nc2nccs2)c2ccccc2c1=O
InChIInChI=1S/C16H15N3O3S/c1-22-8-7-19-10-13(14(20)18-16-17-6-9-23-16)11-4-2-3-5-12(11)15(19)21/h2-6,9-10H,7-8H2,1H3,(H,17,18,20)
InChIKeyIUYQMOBRDFWZBZ-UHFFFAOYSA-N
XLogP2.36
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2-methoxyethyl)-1-oxo-N-(1,3-thiazol-2-yl)isoquinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methoxyethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-oxoisoquinoline-4-carboxamide
CID 56762472
2-(3-methoxyphenyl)-1-oxo-N-(1,3-thiazol-2-yl)isoquinoline-4-carboxamide
CID 126459305
4-(2-methoxyethoxy)-1-methyl-6-oxo-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 132532959
1,3-dimethyl-2,4-dioxo-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide
CID 84560983
3-butyl-4-oxo-N-(1,3-thiazol-2-yl)phthalazine-1-carboxamide
CID 2679207
2-oxo-1-phenylmethoxy-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 110382868
2-[(2-methoxybenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361063
2-[(2-methylpropan-2-yl)oxy]-N-(1,3-thiazol-2-yl)benzamide
CID 110464702
2-ethylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 7295168
1-benzyl-5-phenylmethoxy-N-(1,3-thiazol-2-yl)indole-3-carboxamide
CID 59513975
2-[tert-butyl(hydroxy)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 22320712
2-(2-methoxyethyl)-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-1-oxoisoquinoline-4-carboxamide
CID 91641143

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-1-oxo-N-(1,3-thiazol-2-yl)isoquinoline-4-carboxamide?
The IUPAC name of 2-(2-methoxyethyl)-1-oxo-N-(1,3-thiazol-2-yl)isoquinoline-4-carboxamide (CID 56761267) is 2-(2-methoxyethyl)-1-oxo-N-(1,3-thiazol-2-yl)isoquinoline-4-carboxamide.
What is the SMILES notation for 2-(2-methoxyethyl)-1-oxo-N-(1,3-thiazol-2-yl)isoquinoline-4-carboxamide?
The canonical SMILES for 2-(2-methoxyethyl)-1-oxo-N-(1,3-thiazol-2-yl)isoquinoline-4-carboxamide is COCCn1cc(C(=O)Nc2nccs2)c2ccccc2c1=O.
What is the InChIKey of 2-(2-methoxyethyl)-1-oxo-N-(1,3-thiazol-2-yl)isoquinoline-4-carboxamide?
The InChIKey is IUYQMOBRDFWZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-22-8-7-19-10-13(14(20)18-16-17-6-9-23-16)11-4-2-3-5-12(11)15(19)21/h2-6,9-10H,7-8H2,1H3,(H,17,18,20).
What are the key properties of 2-(2-methoxyethyl)-1-oxo-N-(1,3-thiazol-2-yl)isoquinoline-4-carboxamide?
2-(2-methoxyethyl)-1-oxo-N-(1,3-thiazol-2-yl)isoquinoline-4-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-1-oxo-N-(1,3-thiazol-2-yl)isoquinoline-4-carboxamide is sourced from PubChem (CID 56761267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).