(4-amino-2-methylpiperidin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone

C14H17N3OS2 — CID 122149093

IUPAC(4-amino-2-methylpiperidin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
SMILESCC1CC(N)CCN1C(=O)c1csc(-c2ccsc2)n1
InChIInChI=1S/C14H17N3OS2/c1-9-6-11(15)2-4-17(9)14(18)12-8-20-13(16-12)10-3-5-19-7-10/h3,5,7-9,11H,2,4,6,15H2,1H3
InChIKeyYWPIHNQTRGHHJL-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.82
Rot. Bonds2

About (4-amino-2-methylpiperidin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone

(4-amino-2-methylpiperidin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone (PubChem CID 122149093) has the molecular formula C14H17N3OS2 and a molecular weight of 307.44 g/mol. Its IUPAC name is (4-amino-2-methylpiperidin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(4-amino-2-methylpiperidin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
PubChem CID122149093
Molecular FormulaC14H17N3OS2
Molecular Weight307.44 g/mol
Exact Mass307.08
IUPAC Name(4-amino-2-methylpiperidin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
SMILESCC1CC(N)CCN1C(=O)c1csc(-c2ccsc2)n1
InChIInChI=1S/C14H17N3OS2/c1-9-6-11(15)2-4-17(9)14(18)12-8-20-13(16-12)10-3-5-19-7-10/h3,5,7-9,11H,2,4,6,15H2,1H3
InChIKeyYWPIHNQTRGHHJL-UHFFFAOYSA-N
XLogP2.82
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]methanone
CID 124691936
(3,5-dimethylpiperidin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
CID 46549349
(4-amino-2-methylpiperidin-1-yl)-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methanone;2,2,2-trifluoroacetic acid
CID 167977655
(3-methylpiperidin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
CID 46549382
(4-methyl-2-phenylpiperazin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
CID 51266752
[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
CID 94103243
[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
CID 94487367
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
CID 81197766
(3,4-dihydroxypyrrolidin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
CID 106671715
azepan-1-yl-[1-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]methanone
CID 8548115
[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]methanone
CID 136584874
1-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone
CID 124691937

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-methylpiperidin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of (4-amino-2-methylpiperidin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone (CID 122149093) is (4-amino-2-methylpiperidin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (4-amino-2-methylpiperidin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for (4-amino-2-methylpiperidin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone is CC1CC(N)CCN1C(=O)c1csc(-c2ccsc2)n1.
What is the InChIKey of (4-amino-2-methylpiperidin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is YWPIHNQTRGHHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS2/c1-9-6-11(15)2-4-17(9)14(18)12-8-20-13(16-12)10-3-5-19-7-10/h3,5,7-9,11H,2,4,6,15H2,1H3.
What are the key properties of (4-amino-2-methylpiperidin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone?
(4-amino-2-methylpiperidin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 307.44 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-methylpiperidin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 122149093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).