4-bromo-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide

C17H12BrN3O2S2 — CID 135221798

IUPAC4-bromo-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESO=C1CCc2cc(-c3csc(NC(=O)c4cc(Br)cs4)n3)ccc2N1
InChIInChI=1S/C17H12BrN3O2S2/c18-11-6-14(24-7-11)16(23)21-17-20-13(8-25-17)10-1-3-12-9(5-10)2-4-15(22)19-12/h1,3,5-8H,2,4H2,(H,19,22)(H,20,21,23)
InChIKeyAAMORNUUGVQERX-UHFFFAOYSA-N
MW434.34 g/mol
LogP4.77
Rot. Bonds3

About 4-bromo-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide

4-bromo-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 135221798) has the molecular formula C17H12BrN3O2S2 and a molecular weight of 434.34 g/mol. Its IUPAC name is 4-bromo-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
PubChem CID135221798
Molecular FormulaC17H12BrN3O2S2
Molecular Weight434.34 g/mol
Exact Mass432.96
IUPAC Name4-bromo-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESO=C1CCc2cc(-c3csc(NC(=O)c4cc(Br)cs4)n3)ccc2N1
InChIInChI=1S/C17H12BrN3O2S2/c18-11-6-14(24-7-11)16(23)21-17-20-13(8-25-17)10-1-3-12-9(5-10)2-4-15(22)19-12/h1,3,5-8H,2,4H2,(H,19,22)(H,20,21,23)
InChIKeyAAMORNUUGVQERX-UHFFFAOYSA-N
XLogP4.77
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.34
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide
CID 122589321
6-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 58910717
1-methyl-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-3-phenylpyrazole-4-carboxamide
CID 135221816
(2S)-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 41169360
6-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 9343342
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 33166774
(3R)-3-acetamido-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 41228511
6-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 9343413
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 46645877
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784691
6-[2-(methylaminomethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 95475662
(3R)-1-(4-fluorobenzoyl)-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]piperidine-3-carboxamide
CID 51487040

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of 4-bromo-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 135221798) is 4-bromo-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 4-bromo-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide is O=C1CCc2cc(-c3csc(NC(=O)c4cc(Br)cs4)n3)ccc2N1.
What is the InChIKey of 4-bromo-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is AAMORNUUGVQERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN3O2S2/c18-11-6-14(24-7-11)16(23)21-17-20-13(8-25-17)10-1-3-12-9(5-10)2-4-15(22)19-12/h1,3,5-8H,2,4H2,(H,19,22)(H,20,21,23).
What are the key properties of 4-bromo-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
4-bromo-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 434.34 g/mol, XLogP of 4.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 135221798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).