N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-8-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carboxamide

C17H20N4O2S — CID 128859088

IUPACN-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-8-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carboxamide
SMILESCC1(C)CCc2sc(NC(=O)N3CCc4cc[nH]c(=O)c4C3)nc21
InChIInChI=1S/C17H20N4O2S/c1-17(2)6-3-12-13(17)19-15(24-12)20-16(23)21-8-5-10-4-7-18-14(22)11(10)9-21/h4,7H,3,5-6,8-9H2,1-2H3,(H,18,22)(H,19,20,23)
InChIKeyQTNNLMXQCIWACA-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.65
Rot. Bonds1

About N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-8-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carboxamide

N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-8-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carboxamide (PubChem CID 128859088) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-8-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-8-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carboxamide
PubChem CID128859088
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-8-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carboxamide
SMILESCC1(C)CCc2sc(NC(=O)N3CCc4cc[nH]c(=O)c4C3)nc21
InChIInChI=1S/C17H20N4O2S/c1-17(2)6-3-12-13(17)19-15(24-12)20-16(23)21-8-5-10-4-7-18-14(22)11(10)9-21/h4,7H,3,5-6,8-9H2,1-2H3,(H,18,22)(H,19,20,23)
InChIKeyQTNNLMXQCIWACA-UHFFFAOYSA-N
XLogP2.65
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-8-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carboxamide with MolForge

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Related Compounds

N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide
CID 128858849
N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)prop-2-enamide
CID 166406954
(3S,4R)-3-cyano-N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-4-phenylpyrrolidine-1-carboxamide
CID 128859243
1-[(4,4-dimethyl-6,7-dihydro-5H-1,3-benzothiazol-2-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122093933
7-[5-(8-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carbonyl)pyridine-3-carbonyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-1-one
CID 154840189
N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-hydroxy-2-phenylbutanamide
CID 146147751
N-(4,5-dimethyl-1,3-thiazol-2-yl)-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 48777985
7-[1-(pyridine-4-carbonyl)piperidine-3-carbonyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-1-one
CID 136536033
1-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)urea
CID 128859210
2-acetamido-N-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90480656
N-[[2-(8-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carbonyl)phenyl]methyl]prop-2-enamide
CID 166422239
3-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 128858664

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-8-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carboxamide?
The IUPAC name of N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-8-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carboxamide (CID 128859088) is N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-8-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carboxamide.
What is the SMILES notation for N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-8-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carboxamide?
The canonical SMILES for N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-8-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carboxamide is CC1(C)CCc2sc(NC(=O)N3CCc4cc[nH]c(=O)c4C3)nc21.
What is the InChIKey of N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-8-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carboxamide?
The InChIKey is QTNNLMXQCIWACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-17(2)6-3-12-13(17)19-15(24-12)20-16(23)21-8-5-10-4-7-18-14(22)11(10)9-21/h4,7H,3,5-6,8-9H2,1-2H3,(H,18,22)(H,19,20,23).
What are the key properties of N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-8-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carboxamide?
N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-8-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 2.65, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-8-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carboxamide is sourced from PubChem (CID 128859088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).