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

C14H19Cl2N5OS — CID 119828205

IUPAC[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;dihydrochloride
SMILESCl.Cl.NCc1nc(C(=O)N2CCN(c3ccccn3)CC2)cs1
InChIInChI=1S/C14H17N5OS.2ClH/c15-9-13-17-11(10-21-13)14(20)19-7-5-18(6-8-19)12-3-1-2-4-16-12;;/h1-4,10H,5-9,15H2;2*1H
InChIKeyJHCRMHLUZZYGKB-UHFFFAOYSA-N
MW376.31 g/mol
LogP1.80
Rot. Bonds3

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

[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;dihydrochloride (PubChem CID 119828205) has the molecular formula C14H19Cl2N5OS and a molecular weight of 376.31 g/mol. Its IUPAC name is [2-(aminomethyl)-1,3-thiazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;dihydrochloride
PubChem CID119828205
Molecular FormulaC14H19Cl2N5OS
Molecular Weight376.31 g/mol
Exact Mass375.07
IUPAC Name[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;dihydrochloride
SMILESCl.Cl.NCc1nc(C(=O)N2CCN(c3ccccn3)CC2)cs1
InChIInChI=1S/C14H17N5OS.2ClH/c15-9-13-17-11(10-21-13)14(20)19-7-5-18(6-8-19)12-3-1-2-4-16-12;;/h1-4,10H,5-9,15H2;2*1H
InChIKeyJHCRMHLUZZYGKB-UHFFFAOYSA-N
XLogP1.80
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 119842616
[2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 3814800
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone;dihydrochloride
CID 120641984
N-cyclopropyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,3-thiazole-2-carboxamide
CID 53158464
[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 119829444
[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(4-chlorophenyl)methanone;hydrochloride
CID 119704882
[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride
CID 119708708
[2-(1,5-dimethylpyrrol-2-yl)-1,3-thiazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 53125120
[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-1,4-diazepan-1-yl]-(2-fluorophenyl)methanone
CID 119710424
[2-(aminomethyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 66376431
[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(4-ethylphenyl)methanone;hydrochloride
CID 119729984
[2-(methoxymethyl)-1,3-thiazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 48571475

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;dihydrochloride?
The IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;dihydrochloride (CID 119828205) is [2-(aminomethyl)-1,3-thiazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;dihydrochloride.
What is the SMILES notation for [2-(aminomethyl)-1,3-thiazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;dihydrochloride?
The canonical SMILES for [2-(aminomethyl)-1,3-thiazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;dihydrochloride is Cl.Cl.NCc1nc(C(=O)N2CCN(c3ccccn3)CC2)cs1.
What is the InChIKey of [2-(aminomethyl)-1,3-thiazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;dihydrochloride?
The InChIKey is JHCRMHLUZZYGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS.2ClH/c15-9-13-17-11(10-21-13)14(20)19-7-5-18(6-8-19)12-3-1-2-4-16-12;;/h1-4,10H,5-9,15H2;2*1H.
What are the key properties of [2-(aminomethyl)-1,3-thiazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;dihydrochloride?
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;dihydrochloride has a molecular weight of 376.31 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-1,3-thiazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;dihydrochloride is sourced from PubChem (CID 119828205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).