2-(piperazin-1-ylmethyl)-4-thiophen-2-yl-1,3-thiazole;dihydrochloride

C12H17Cl2N3S2 — CID 71778838

IUPAC2-(piperazin-1-ylmethyl)-4-thiophen-2-yl-1,3-thiazole;dihydrochloride
SMILESCl.Cl.c1csc(-c2csc(CN3CCNCC3)n2)c1
InChIInChI=1S/C12H15N3S2.2ClH/c1-2-11(16-7-1)10-9-17-12(14-10)8-15-5-3-13-4-6-15;;/h1-2,7,9,13H,3-6,8H2;2*1H
InChIKeyUESDDYKGBAFINI-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.12
Rot. Bonds3

About 2-(piperazin-1-ylmethyl)-4-thiophen-2-yl-1,3-thiazole;dihydrochloride

2-(piperazin-1-ylmethyl)-4-thiophen-2-yl-1,3-thiazole;dihydrochloride (PubChem CID 71778838) has the molecular formula C12H17Cl2N3S2 and a molecular weight of 338.33 g/mol. Its IUPAC name is 2-(piperazin-1-ylmethyl)-4-thiophen-2-yl-1,3-thiazole;dihydrochloride.

Molecular Properties

Compound Name2-(piperazin-1-ylmethyl)-4-thiophen-2-yl-1,3-thiazole;dihydrochloride
PubChem CID71778838
Molecular FormulaC12H17Cl2N3S2
Molecular Weight338.33 g/mol
Exact Mass337.02
IUPAC Name2-(piperazin-1-ylmethyl)-4-thiophen-2-yl-1,3-thiazole;dihydrochloride
SMILESCl.Cl.c1csc(-c2csc(CN3CCNCC3)n2)c1
InChIInChI=1S/C12H15N3S2.2ClH/c1-2-11(16-7-1)10-9-17-12(14-10)8-15-5-3-13-4-6-15;;/h1-2,7,9,13H,3-6,8H2;2*1H
InChIKeyUESDDYKGBAFINI-UHFFFAOYSA-N
XLogP3.12
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-4-thiophen-2-yl-1,3-thiazole
CID 30463840
4-(5-methylfuran-2-yl)-2-(piperazin-1-ylmethyl)-1,3-thiazole
CID 63333142
N-phenyl-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 30464344
2-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]methyl]-4-thiophen-2-yl-1,3-thiazole
CID 30868768
N-propan-2-yl-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 30464372
4-(4-nitrophenyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole
CID 63332999
2-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-4-thiophen-2-yl-1,3-thiazole
CID 30463865
1-(thiophen-2-ylmethyl)piperazine
CID 566208
1,3-benzodioxol-5-yl-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone;hydrochloride
CID 71780263
2-(3,4-dimethoxyphenyl)-1-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 30860633
5-(1,4-diazepan-1-ylmethyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 43162484
1-[(3-thiophen-2-ylfuran-2-yl)methyl]piperazine
CID 82511710

Frequently Asked Questions

What is the IUPAC name of 2-(piperazin-1-ylmethyl)-4-thiophen-2-yl-1,3-thiazole;dihydrochloride?
The IUPAC name of 2-(piperazin-1-ylmethyl)-4-thiophen-2-yl-1,3-thiazole;dihydrochloride (CID 71778838) is 2-(piperazin-1-ylmethyl)-4-thiophen-2-yl-1,3-thiazole;dihydrochloride.
What is the SMILES notation for 2-(piperazin-1-ylmethyl)-4-thiophen-2-yl-1,3-thiazole;dihydrochloride?
The canonical SMILES for 2-(piperazin-1-ylmethyl)-4-thiophen-2-yl-1,3-thiazole;dihydrochloride is Cl.Cl.c1csc(-c2csc(CN3CCNCC3)n2)c1.
What is the InChIKey of 2-(piperazin-1-ylmethyl)-4-thiophen-2-yl-1,3-thiazole;dihydrochloride?
The InChIKey is UESDDYKGBAFINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S2.2ClH/c1-2-11(16-7-1)10-9-17-12(14-10)8-15-5-3-13-4-6-15;;/h1-2,7,9,13H,3-6,8H2;2*1H.
What are the key properties of 2-(piperazin-1-ylmethyl)-4-thiophen-2-yl-1,3-thiazole;dihydrochloride?
2-(piperazin-1-ylmethyl)-4-thiophen-2-yl-1,3-thiazole;dihydrochloride has a molecular weight of 338.33 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperazin-1-ylmethyl)-4-thiophen-2-yl-1,3-thiazole;dihydrochloride is sourced from PubChem (CID 71778838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).