[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]methanone

C14H16ClN3OS2 — CID 124691936

IUPAC[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]methanone
SMILESC[C@@H]1C[C@@H](N)CCN1C(=O)c1csc(-c2ccc(Cl)s2)n1
InChIInChI=1S/C14H16ClN3OS2/c1-8-6-9(16)4-5-18(8)14(19)10-7-20-13(17-10)11-2-3-12(15)21-11/h2-3,7-9H,4-6,16H2,1H3/t8-,9+/m1/s1
InChIKeyYXKHMMYPAIMCGV-BDAKNGLRSA-N
MW341.89 g/mol
LogP3.48
Rot. Bonds2

About [(2R,4S)-4-amino-2-methylpiperidin-1-yl]-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]methanone

[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]methanone (PubChem CID 124691936) has the molecular formula C14H16ClN3OS2 and a molecular weight of 341.89 g/mol. Its IUPAC name is [(2R,4S)-4-amino-2-methylpiperidin-1-yl]-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]methanone
PubChem CID124691936
Molecular FormulaC14H16ClN3OS2
Molecular Weight341.89 g/mol
Exact Mass341.04
IUPAC Name[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]methanone
SMILESC[C@@H]1C[C@@H](N)CCN1C(=O)c1csc(-c2ccc(Cl)s2)n1
InChIInChI=1S/C14H16ClN3OS2/c1-8-6-9(16)4-5-18(8)14(19)10-7-20-13(17-10)11-2-3-12(15)21-11/h2-3,7-9H,4-6,16H2,1H3/t8-,9+/m1/s1
InChIKeyYXKHMMYPAIMCGV-BDAKNGLRSA-N
XLogP3.48
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.89
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R,4S)-4-amino-2-methylpiperidin-1-yl]-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]methanone with MolForge

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Related Compounds

(4-amino-2-methylpiperidin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
CID 122149093
[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-(2-hydrazinyl-4-methyl-4,5-dihydroimidazol-1-yl)methanone
CID 166372681
[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119492881
(4-amino-2-methylpiperidin-1-yl)-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methanone;2,2,2-trifluoroacetic acid
CID 167977655
N-tert-butyl-3-[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide
CID 71879707
(4-amino-2-methylpiperidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone
CID 103821494
[(3R)-3-aminopyrrolidin-1-yl]-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 119412335
1-[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256568
[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone
CID 139004678
ethyl 2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxylate
CID 78974871
[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]methanone
CID 136584874
[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 58924813

Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-4-amino-2-methylpiperidin-1-yl]-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]methanone?
The IUPAC name of [(2R,4S)-4-amino-2-methylpiperidin-1-yl]-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]methanone (CID 124691936) is [(2R,4S)-4-amino-2-methylpiperidin-1-yl]-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [(2R,4S)-4-amino-2-methylpiperidin-1-yl]-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [(2R,4S)-4-amino-2-methylpiperidin-1-yl]-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]methanone is C[C@@H]1C[C@@H](N)CCN1C(=O)c1csc(-c2ccc(Cl)s2)n1.
What is the InChIKey of [(2R,4S)-4-amino-2-methylpiperidin-1-yl]-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]methanone?
The InChIKey is YXKHMMYPAIMCGV-BDAKNGLRSA-N. The full InChI is InChI=1S/C14H16ClN3OS2/c1-8-6-9(16)4-5-18(8)14(19)10-7-20-13(17-10)11-2-3-12(15)21-11/h2-3,7-9H,4-6,16H2,1H3/t8-,9+/m1/s1.
What are the key properties of [(2R,4S)-4-amino-2-methylpiperidin-1-yl]-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]methanone?
[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]methanone has a molecular weight of 341.89 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-4-amino-2-methylpiperidin-1-yl]-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 124691936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).