(5-amino-1,2-thiazol-4-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone

C13H13N3OS — CID 117213473

IUPAC(5-amino-1,2-thiazol-4-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESNc1sncc1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C13H13N3OS/c14-12-10(8-15-18-12)13(17)16-7-3-5-9-4-1-2-6-11(9)16/h1-2,4,6,8H,3,5,7,14H2
InChIKeyMJMMDEQRVXTKRD-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.32
Rot. Bonds1

About (5-amino-1,2-thiazol-4-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone

(5-amino-1,2-thiazol-4-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 117213473) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is (5-amino-1,2-thiazol-4-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-1,2-thiazol-4-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID117213473
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name(5-amino-1,2-thiazol-4-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESNc1sncc1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C13H13N3OS/c14-12-10(8-15-18-12)13(17)16-7-3-5-9-4-1-2-6-11(9)16/h1-2,4,6,8H,3,5,7,14H2
InChIKeyMJMMDEQRVXTKRD-UHFFFAOYSA-N
XLogP2.32
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-1,2-thiazol-5-yl)-(2,3-dihydroindol-1-yl)methanone
CID 117218797
(4-chloro-3-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81226103
(4-aminophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 2984117
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-1H-pyrimidin-6-one
CID 110857161
3,4-dihydro-2H-quinolin-1-yl-[3-(methylamino)-4-pyridinyl]methanone
CID 105068094
(2-aminothiophen-3-yl)-(2,3-dihydroindol-1-yl)methanone
CID 117213470
3,4-dihydro-2H-quinolin-1-yl-(6-fluoro-3-pyridinyl)methanone
CID 63972350
(1-aminocyclobutyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81179499
3,4-dihydro-2H-quinolin-1-yl-(2,5-dihydroxyphenyl)methanone
CID 103891274
3,4-dihydro-2H-quinolin-1-yl-(3-hydroxy-2-methylphenyl)methanone
CID 82829947
3,4-dihydro-2H-quinolin-1-yl-(2-methoxyphenyl)methanone
CID 903128
3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethylphenyl)methanone
CID 47097545

Frequently Asked Questions

What is the IUPAC name of (5-amino-1,2-thiazol-4-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (5-amino-1,2-thiazol-4-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 117213473) is (5-amino-1,2-thiazol-4-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (5-amino-1,2-thiazol-4-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (5-amino-1,2-thiazol-4-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone is Nc1sncc1C(=O)N1CCCc2ccccc21.
What is the InChIKey of (5-amino-1,2-thiazol-4-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is MJMMDEQRVXTKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c14-12-10(8-15-18-12)13(17)16-7-3-5-9-4-1-2-6-11(9)16/h1-2,4,6,8H,3,5,7,14H2.
What are the key properties of (5-amino-1,2-thiazol-4-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
(5-amino-1,2-thiazol-4-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 259.33 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1,2-thiazol-4-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 117213473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).