[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone;dihydrochloride

C14H19Cl2N3OS2 — CID 120806158

IUPAC[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone;dihydrochloride
SMILESCC1(CN)CCN(C(=O)c2csc(-c3cccs3)n2)C1.Cl.Cl
InChIInChI=1S/C14H17N3OS2.2ClH/c1-14(8-15)4-5-17(9-14)13(18)10-7-20-12(16-10)11-3-2-6-19-11;;/h2-3,6-7H,4-5,8-9,15H2,1H3;2*1H
InChIKeyVUSQHBGWEFMZLV-UHFFFAOYSA-N
MW380.37 g/mol
LogP3.53
Rot. Bonds3

About [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone;dihydrochloride

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone;dihydrochloride (PubChem CID 120806158) has the molecular formula C14H19Cl2N3OS2 and a molecular weight of 380.37 g/mol. Its IUPAC name is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone;dihydrochloride
PubChem CID120806158
Molecular FormulaC14H19Cl2N3OS2
Molecular Weight380.37 g/mol
Exact Mass379.03
IUPAC Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone;dihydrochloride
SMILESCC1(CN)CCN(C(=O)c2csc(-c3cccs3)n2)C1.Cl.Cl
InChIInChI=1S/C14H17N3OS2.2ClH/c1-14(8-15)4-5-17(9-14)13(18)10-7-20-12(16-10)11-3-2-6-19-11;;/h2-3,6-7H,4-5,8-9,15H2,1H3;2*1H
InChIKeyVUSQHBGWEFMZLV-UHFFFAOYSA-N
XLogP3.53
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 120809654
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 120808884
[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 56745375
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one;hydrochloride
CID 120807462
phenyl-[4-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone
CID 78813030
ethyl 1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)piperidine-4-carboxylate
CID 35512800
[(3S)-3-hydroxypiperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 107224496
[4-(methylaminomethyl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 119546783
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone;dihydrochloride
CID 120745042
[3-(2-hydroxyethyl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 62357457
(3-hydroxy-3-methylpyrrolidin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 103726970
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[3-(difluoromethylsulfanyl)thiophen-2-yl]methanone;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone;dihydrochloride?
The IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone;dihydrochloride (CID 120806158) is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone;dihydrochloride.
What is the SMILES notation for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone;dihydrochloride?
The canonical SMILES for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone;dihydrochloride is CC1(CN)CCN(C(=O)c2csc(-c3cccs3)n2)C1.Cl.Cl.
What is the InChIKey of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone;dihydrochloride?
The InChIKey is VUSQHBGWEFMZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS2.2ClH/c1-14(8-15)4-5-17(9-14)13(18)10-7-20-12(16-10)11-3-2-6-19-11;;/h2-3,6-7H,4-5,8-9,15H2,1H3;2*1H.
What are the key properties of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone;dihydrochloride?
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone;dihydrochloride has a molecular weight of 380.37 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone;dihydrochloride is sourced from PubChem (CID 120806158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).