1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone;dihydrochloride

C15H20Cl2N4OS — CID 119632087

IUPAC1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone;dihydrochloride
SMILESCl.Cl.NCC1CCCN1C(=O)Cc1csc(-c2ccccn2)n1
InChIInChI=1S/C15H18N4OS.2ClH/c16-9-12-4-3-7-19(12)14(20)8-11-10-21-15(18-11)13-5-1-2-6-17-13;;/h1-2,5-6,10,12H,3-4,7-9,16H2;2*1H
InChIKeyVVEZICMEJCSIGV-UHFFFAOYSA-N
MW375.33 g/mol
LogP2.54
Rot. Bonds4

About 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone;dihydrochloride

1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone;dihydrochloride (PubChem CID 119632087) has the molecular formula C15H20Cl2N4OS and a molecular weight of 375.33 g/mol. Its IUPAC name is 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone;dihydrochloride.

Molecular Properties

Compound Name1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone;dihydrochloride
PubChem CID119632087
Molecular FormulaC15H20Cl2N4OS
Molecular Weight375.33 g/mol
Exact Mass374.07
IUPAC Name1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone;dihydrochloride
SMILESCl.Cl.NCC1CCCN1C(=O)Cc1csc(-c2ccccn2)n1
InChIInChI=1S/C15H18N4OS.2ClH/c16-9-12-4-3-7-19(12)14(20)8-11-10-21-15(18-11)13-5-1-2-6-17-13;;/h1-2,5-6,10,12H,3-4,7-9,16H2;2*1H
InChIKeyVVEZICMEJCSIGV-UHFFFAOYSA-N
XLogP2.54
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(aminomethyl)piperidin-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone;dihydrochloride
CID 119468149
1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 136576502
1-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone
CID 94643466
1-[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-1-one
CID 110411595
1-[2-[(2-bromophenyl)methyl]pyrrolidin-1-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethanone
CID 166342179
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(pyridin-2-ylmethylsulfanyl)ethanone;dihydrochloride
CID 119632151
1-morpholin-4-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone
CID 33236750
1-[2-(aminomethyl)piperidin-1-yl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethanone;dihydrochloride
CID 119468701
1-[2-(aminomethyl)piperidin-1-yl]-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone
CID 119469802
(3aS,6aR)-2-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120682522
N-cyclooctyl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17449429
[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone
CID 124595892

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone;dihydrochloride?
The IUPAC name of 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone;dihydrochloride (CID 119632087) is 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone;dihydrochloride.
What is the SMILES notation for 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone;dihydrochloride?
The canonical SMILES for 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone;dihydrochloride is Cl.Cl.NCC1CCCN1C(=O)Cc1csc(-c2ccccn2)n1.
What is the InChIKey of 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone;dihydrochloride?
The InChIKey is VVEZICMEJCSIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS.2ClH/c16-9-12-4-3-7-19(12)14(20)8-11-10-21-15(18-11)13-5-1-2-6-17-13;;/h1-2,5-6,10,12H,3-4,7-9,16H2;2*1H.
What are the key properties of 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone;dihydrochloride?
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone;dihydrochloride has a molecular weight of 375.33 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone;dihydrochloride is sourced from PubChem (CID 119632087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).