(4-amino-5-methylthiophen-2-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone

C15H22N2OS — CID 114459638

IUPAC(4-amino-5-methylthiophen-2-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCc1sc(C(=O)N2CC=C(C(C)(C)C)CC2)cc1N
InChIInChI=1S/C15H22N2OS/c1-10-12(16)9-13(19-10)14(18)17-7-5-11(6-8-17)15(2,3)4/h5,9H,6-8,16H2,1-4H3
InChIKeyMWQWOIOXFFLPRT-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.46
Rot. Bonds1

About (4-amino-5-methylthiophen-2-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone

(4-amino-5-methylthiophen-2-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 114459638) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is (4-amino-5-methylthiophen-2-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-5-methylthiophen-2-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID114459638
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name(4-amino-5-methylthiophen-2-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCc1sc(C(=O)N2CC=C(C(C)(C)C)CC2)cc1N
InChIInChI=1S/C15H22N2OS/c1-10-12(16)9-13(19-10)14(18)17-7-5-11(6-8-17)15(2,3)4/h5,9H,6-8,16H2,1-4H3
InChIKeyMWQWOIOXFFLPRT-UHFFFAOYSA-N
XLogP3.46
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (4-amino-5-methylthiophen-2-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone with MolForge

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Related Compounds

(4-amino-3-bromophenyl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114460020
(3-amino-4-bromophenyl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114459659
(5-amino-2-fluoro-3-methylphenyl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 103296901
(4-amino-1-ethylpyrrol-2-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114459636
(5-amino-2-fluorophenyl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114459701
(4-amino-1,2,5-oxadiazol-3-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114459992
(4-amino-5-methylthiophen-2-yl)-(4-methylazepan-1-yl)methanone
CID 63624400
(4-amino-5-methylthiophen-2-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone
CID 107210666
[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114461648
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(4-amino-5-methylthiophen-2-yl)methanone
CID 61103279
(5-bromo-2-methylphenyl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114460092
ethyl 1-(4-amino-5-methylthiophene-2-carbonyl)piperidine-4-carboxylate
CID 61116998

Frequently Asked Questions

What is the IUPAC name of (4-amino-5-methylthiophen-2-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of (4-amino-5-methylthiophen-2-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 114459638) is (4-amino-5-methylthiophen-2-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for (4-amino-5-methylthiophen-2-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for (4-amino-5-methylthiophen-2-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone is Cc1sc(C(=O)N2CC=C(C(C)(C)C)CC2)cc1N.
What is the InChIKey of (4-amino-5-methylthiophen-2-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is MWQWOIOXFFLPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-10-12(16)9-13(19-10)14(18)17-7-5-11(6-8-17)15(2,3)4/h5,9H,6-8,16H2,1-4H3.
What are the key properties of (4-amino-5-methylthiophen-2-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
(4-amino-5-methylthiophen-2-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 278.42 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-methylthiophen-2-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 114459638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).