[2-(aminomethyl)-1,3-thiazol-4-yl]-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C15H17N3OS — CID 66381388

IUPAC[2-(aminomethyl)-1,3-thiazol-4-yl]-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCC1Cc2ccccc2N(C(=O)c2csc(CN)n2)C1
InChIInChI=1S/C15H17N3OS/c1-10-6-11-4-2-3-5-13(11)18(8-10)15(19)12-9-20-14(7-16)17-12/h2-5,9-10H,6-8,16H2,1H3
InChIKeyXZFSPOVAVXKNDA-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.44
Rot. Bonds2

About [2-(aminomethyl)-1,3-thiazol-4-yl]-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

[2-(aminomethyl)-1,3-thiazol-4-yl]-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 66381388) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is [2-(aminomethyl)-1,3-thiazol-4-yl]-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-1,3-thiazol-4-yl]-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID66381388
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name[2-(aminomethyl)-1,3-thiazol-4-yl]-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCC1Cc2ccccc2N(C(=O)c2csc(CN)n2)C1
InChIInChI=1S/C15H17N3OS/c1-10-6-11-4-2-3-5-13(11)18(8-10)15(19)12-9-20-14(7-16)17-12/h2-5,9-10H,6-8,16H2,1H3
InChIKeyXZFSPOVAVXKNDA-UHFFFAOYSA-N
XLogP2.44
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(aminomethyl)-1,3-thiazol-4-yl]-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone with MolForge

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Related Compounds

(2-amino-1,3-thiazol-4-yl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63522293
(2S)-1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-2,3-dihydroindole-2-carboxylic acid
CID 66376509
[5-(aminomethyl)-2-pyridinyl]-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63723229
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 124515126
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 66380814
3-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 63466515
(2-aminophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63401608
3-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridazin-6-one
CID 110662902
(2,6-dichloro-4-pyridinyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63373065
[2-(aminomethyl)-1,3-thiazol-4-yl]-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220790
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114593147
(2-amino-3-fluorophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63499391

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 66381388) is [2-(aminomethyl)-1,3-thiazol-4-yl]-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)-1,3-thiazol-4-yl]-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [2-(aminomethyl)-1,3-thiazol-4-yl]-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is CC1Cc2ccccc2N(C(=O)c2csc(CN)n2)C1.
What is the InChIKey of [2-(aminomethyl)-1,3-thiazol-4-yl]-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is XZFSPOVAVXKNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-10-6-11-4-2-3-5-13(11)18(8-10)15(19)12-9-20-14(7-16)17-12/h2-5,9-10H,6-8,16H2,1H3.
What are the key properties of [2-(aminomethyl)-1,3-thiazol-4-yl]-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
[2-(aminomethyl)-1,3-thiazol-4-yl]-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 287.39 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-1,3-thiazol-4-yl]-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 66381388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).