methyl 2-[(3-methoxynaphthalene-2-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate

C20H19N3O4S — CID 16824368

IUPACmethyl 2-[(3-methoxynaphthalene-2-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
SMILESCOC(=O)N1CCc2nc(NC(=O)c3cc4ccccc4cc3OC)sc2C1
InChIInChI=1S/C20H19N3O4S/c1-26-16-10-13-6-4-3-5-12(13)9-14(16)18(24)22-19-21-15-7-8-23(20(25)27-2)11-17(15)28-19/h3-6,9-10H,7-8,11H2,1-2H3,(H,21,22,24)
InChIKeyDTNSIODGXOMNJY-UHFFFAOYSA-N
MW397.46 g/mol
LogP3.68
Rot. Bonds3

About methyl 2-[(3-methoxynaphthalene-2-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate

methyl 2-[(3-methoxynaphthalene-2-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate (PubChem CID 16824368) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is methyl 2-[(3-methoxynaphthalene-2-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(3-methoxynaphthalene-2-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
PubChem CID16824368
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Namemethyl 2-[(3-methoxynaphthalene-2-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
SMILESCOC(=O)N1CCc2nc(NC(=O)c3cc4ccccc4cc3OC)sc2C1
InChIInChI=1S/C20H19N3O4S/c1-26-16-10-13-6-4-3-5-12(13)9-14(16)18(24)22-19-21-15-7-8-23(20(25)27-2)11-17(15)28-19/h3-6,9-10H,7-8,11H2,1-2H3,(H,21,22,24)
InChIKeyDTNSIODGXOMNJY-UHFFFAOYSA-N
XLogP3.68
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(3-methoxynaphthalene-2-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate 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

methyl 2-[(7-methoxy-1-benzofuran-2-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 40946616
2-methoxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 15282280
4-chloro-2-methoxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 51096037
N-[5-(cyclopropanecarbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 176832939
N-(3,4-dimethoxyphenyl)-2-(pyridine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90528632
tert-butyl 2-[(2,4-dimethylbenzoyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 36766598
tert-butyl 2-[(2,5-dichlorobenzoyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 24631573
N-[5-[2-(2-methoxyphenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide
CID 90528380
N-[5-(3,4,5-trimethoxybenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
CID 90526475
2-(cyclopropanecarbonylamino)-N-(2,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90525821
2-(furan-2-carbonylamino)-N-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90526747
2-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 5107128

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-methoxynaphthalene-2-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?
The IUPAC name of methyl 2-[(3-methoxynaphthalene-2-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate (CID 16824368) is methyl 2-[(3-methoxynaphthalene-2-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate.
What is the SMILES notation for methyl 2-[(3-methoxynaphthalene-2-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?
The canonical SMILES for methyl 2-[(3-methoxynaphthalene-2-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate is COC(=O)N1CCc2nc(NC(=O)c3cc4ccccc4cc3OC)sc2C1.
What is the InChIKey of methyl 2-[(3-methoxynaphthalene-2-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?
The InChIKey is DTNSIODGXOMNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-26-16-10-13-6-4-3-5-12(13)9-14(16)18(24)22-19-21-15-7-8-23(20(25)27-2)11-17(15)28-19/h3-6,9-10H,7-8,11H2,1-2H3,(H,21,22,24).
What are the key properties of methyl 2-[(3-methoxynaphthalene-2-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?
methyl 2-[(3-methoxynaphthalene-2-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate has a molecular weight of 397.46 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-methoxynaphthalene-2-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate is sourced from PubChem (CID 16824368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).