[2-(aminomethyl)piperidin-1-yl]-[2-(dimethylamino)thieno[2,3-d][1,3]thiazol-5-yl]methanone;dihydrochloride

C14H22Cl2N4OS2 — CID 119467833

IUPAC[2-(aminomethyl)piperidin-1-yl]-[2-(dimethylamino)thieno[2,3-d][1,3]thiazol-5-yl]methanone;dihydrochloride
SMILESCN(C)c1nc2sc(C(=O)N3CCCCC3CN)cc2s1.Cl.Cl
InChIInChI=1S/C14H20N4OS2.2ClH/c1-17(2)14-16-12-10(21-14)7-11(20-12)13(19)18-6-4-3-5-9(18)8-15;;/h7,9H,3-6,8,15H2,1-2H3;2*1H
InChIKeyFDILHSDVKMVSKD-UHFFFAOYSA-N
MW397.40 g/mol
LogP3.22
Rot. Bonds3

About [2-(aminomethyl)piperidin-1-yl]-[2-(dimethylamino)thieno[2,3-d][1,3]thiazol-5-yl]methanone;dihydrochloride

[2-(aminomethyl)piperidin-1-yl]-[2-(dimethylamino)thieno[2,3-d][1,3]thiazol-5-yl]methanone;dihydrochloride (PubChem CID 119467833) has the molecular formula C14H22Cl2N4OS2 and a molecular weight of 397.40 g/mol. Its IUPAC name is [2-(aminomethyl)piperidin-1-yl]-[2-(dimethylamino)thieno[2,3-d][1,3]thiazol-5-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name[2-(aminomethyl)piperidin-1-yl]-[2-(dimethylamino)thieno[2,3-d][1,3]thiazol-5-yl]methanone;dihydrochloride
PubChem CID119467833
Molecular FormulaC14H22Cl2N4OS2
Molecular Weight397.40 g/mol
Exact Mass396.06
IUPAC Name[2-(aminomethyl)piperidin-1-yl]-[2-(dimethylamino)thieno[2,3-d][1,3]thiazol-5-yl]methanone;dihydrochloride
SMILESCN(C)c1nc2sc(C(=O)N3CCCCC3CN)cc2s1.Cl.Cl
InChIInChI=1S/C14H20N4OS2.2ClH/c1-17(2)14-16-12-10(21-14)7-11(20-12)13(19)18-6-4-3-5-9(18)8-15;;/h7,9H,3-6,8,15H2,1-2H3;2*1H
InChIKeyFDILHSDVKMVSKD-UHFFFAOYSA-N
XLogP3.22
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(aminomethyl)piperidin-1-yl]-[2-(dimethylamino)thieno[2,3-d][1,3]thiazol-5-yl]methanone;dihydrochloride with MolForge

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Related Compounds

1-[2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 119356093
[2-(aminomethyl)pyrrolidin-1-yl]-(2-anilinothieno[2,3-d][1,3]thiazol-5-yl)methanone;dihydrochloride
CID 119634519
[2-(aminomethyl)piperidin-1-yl]-(4,5-dimethylthiophen-2-yl)methanone;hydrochloride
CID 119467051
N-(2-amino-1-cyclohexylethyl)-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 119590474
[2-(aminomethyl)piperidin-1-yl]-(4-ethyl-5-propylthiophen-2-yl)methanone
CID 119467751
(2-oxo-2-piperidin-1-ylethyl) 2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate
CID 47818747
5-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-2-methylthiophene-3-sulfonamide
CID 125420015
1-[2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]piperidine-4-carboxamide
CID 47069873
[2-(aminomethyl)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone;hydrochloride
CID 119467676
[2-(aminomethyl)piperidin-1-yl]-[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]methanone
CID 119466117
5-[2-(aminomethyl)piperidine-1-carbonyl]-2-methylisoindole-1,3-dione;hydrochloride
CID 119467995
[2-(aminomethyl)piperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone;dihydrochloride
CID 119469805

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)piperidin-1-yl]-[2-(dimethylamino)thieno[2,3-d][1,3]thiazol-5-yl]methanone;dihydrochloride?
The IUPAC name of [2-(aminomethyl)piperidin-1-yl]-[2-(dimethylamino)thieno[2,3-d][1,3]thiazol-5-yl]methanone;dihydrochloride (CID 119467833) is [2-(aminomethyl)piperidin-1-yl]-[2-(dimethylamino)thieno[2,3-d][1,3]thiazol-5-yl]methanone;dihydrochloride.
What is the SMILES notation for [2-(aminomethyl)piperidin-1-yl]-[2-(dimethylamino)thieno[2,3-d][1,3]thiazol-5-yl]methanone;dihydrochloride?
The canonical SMILES for [2-(aminomethyl)piperidin-1-yl]-[2-(dimethylamino)thieno[2,3-d][1,3]thiazol-5-yl]methanone;dihydrochloride is CN(C)c1nc2sc(C(=O)N3CCCCC3CN)cc2s1.Cl.Cl.
What is the InChIKey of [2-(aminomethyl)piperidin-1-yl]-[2-(dimethylamino)thieno[2,3-d][1,3]thiazol-5-yl]methanone;dihydrochloride?
The InChIKey is FDILHSDVKMVSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS2.2ClH/c1-17(2)14-16-12-10(21-14)7-11(20-12)13(19)18-6-4-3-5-9(18)8-15;;/h7,9H,3-6,8,15H2,1-2H3;2*1H.
What are the key properties of [2-(aminomethyl)piperidin-1-yl]-[2-(dimethylamino)thieno[2,3-d][1,3]thiazol-5-yl]methanone;dihydrochloride?
[2-(aminomethyl)piperidin-1-yl]-[2-(dimethylamino)thieno[2,3-d][1,3]thiazol-5-yl]methanone;dihydrochloride has a molecular weight of 397.40 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)piperidin-1-yl]-[2-(dimethylamino)thieno[2,3-d][1,3]thiazol-5-yl]methanone;dihydrochloride is sourced from PubChem (CID 119467833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).