N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

C16H17N3O3S — CID 51076592

IUPACN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCc1nc(CCNC(=O)c2cc3c([nH]c2=O)CCCC3=O)cs1
InChIInChI=1S/C16H17N3O3S/c1-9-18-10(8-23-9)5-6-17-15(21)12-7-11-13(19-16(12)22)3-2-4-14(11)20/h7-8H,2-6H2,1H3,(H,17,21)(H,19,22)
InChIKeyWCZDRBGAHWTPAW-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.63
Rot. Bonds4

About N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 51076592) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID51076592
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCc1nc(CCNC(=O)c2cc3c([nH]c2=O)CCCC3=O)cs1
InChIInChI=1S/C16H17N3O3S/c1-9-18-10(8-23-9)5-6-17-15(21)12-7-11-13(19-16(12)22)3-2-4-14(11)20/h7-8H,2-6H2,1H3,(H,17,21)(H,19,22)
InChIKeyWCZDRBGAHWTPAW-UHFFFAOYSA-N
XLogP1.63
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide with MolForge

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Related Compounds

2,5-dioxo-N-(2-thiophen-3-ylethyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 51078200
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 30600917
2,5-dihydroxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 106037293
2,5-dioxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 39888703
2-bromo-5-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 103773108
N-(3-morpholin-4-ylpropyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 66495547
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 77059141
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 33090929
3-hydrazinyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide
CID 106040240
5-chloro-2-(ethylamino)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide
CID 106050087
N-naphthalen-1-yl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 56923268
3,6-dimethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 36751698

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (CID 51076592) is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is Cc1nc(CCNC(=O)c2cc3c([nH]c2=O)CCCC3=O)cs1.
What is the InChIKey of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is WCZDRBGAHWTPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-9-18-10(8-23-9)5-6-17-15(21)12-7-11-13(19-16(12)22)3-2-4-14(11)20/h7-8H,2-6H2,1H3,(H,17,21)(H,19,22).
What are the key properties of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 331.40 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 51076592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).