[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone

C14H16N4OS — CID 66380814

IUPAC[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
SMILESCN1CCN(C(=O)c2csc(CN)n2)c2ccccc21
InChIInChI=1S/C14H16N4OS/c1-17-6-7-18(12-5-3-2-4-11(12)17)14(19)10-9-20-13(8-15)16-10/h2-5,9H,6-8,15H2,1H3
InChIKeyDBVDODVPDNQAIK-UHFFFAOYSA-N
MW288.38 g/mol
LogP1.70
Rot. Bonds2

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

[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone (PubChem CID 66380814) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is [2-(aminomethyl)-1,3-thiazol-4-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
PubChem CID66380814
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
SMILESCN1CCN(C(=O)c2csc(CN)n2)c2ccccc21
InChIInChI=1S/C14H16N4OS/c1-17-6-7-18(12-5-3-2-4-11(12)17)14(19)10-9-20-13(8-15)16-10/h2-5,9H,6-8,15H2,1H3
InChIKeyDBVDODVPDNQAIK-UHFFFAOYSA-N
XLogP1.70
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(aminomethyl)-1,3-thiazol-4-yl]-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 66381388
(1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone
CID 119041924
1-[5-(2-benzyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-1,5-benzodiazepin-1-yl]ethanone
CID 126766077
[2-(aminomethyl)-1,3-thiazol-4-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 119760441
4-methyl-2,3-dihydroquinoxaline-1-carbohydrazide
CID 63776473
(2S)-1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-2,3-dihydroindole-2-carboxylic acid
CID 66376509
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;dihydrochloride
CID 119828205
[2-(aminomethyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 66376431
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone
CID 66379843
[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(3,3-dimethylbutyl)piperazin-1-yl]methanone
CID 119860162
[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride
CID 119708708
[2-(aminomethyl)-1,3-thiazol-4-yl]-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 66378865

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
The IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone (CID 66380814) is [2-(aminomethyl)-1,3-thiazol-4-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)-1,3-thiazol-4-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
The canonical SMILES for [2-(aminomethyl)-1,3-thiazol-4-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone is CN1CCN(C(=O)c2csc(CN)n2)c2ccccc21.
What is the InChIKey of [2-(aminomethyl)-1,3-thiazol-4-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
The InChIKey is DBVDODVPDNQAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-17-6-7-18(12-5-3-2-4-11(12)17)14(19)10-9-20-13(8-15)16-10/h2-5,9H,6-8,15H2,1H3.
What are the key properties of [2-(aminomethyl)-1,3-thiazol-4-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone has a molecular weight of 288.38 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-1,3-thiazol-4-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone is sourced from PubChem (CID 66380814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).