2-[4-(piperazin-1-ylmethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;dihydrochloride

C17H23Cl2N3S — CID 82021800

IUPAC2-[4-(piperazin-1-ylmethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;dihydrochloride
SMILESCl.Cl.c1cc(-c2nc3c(s2)CCC3)ccc1CN1CCNCC1
InChIInChI=1S/C17H21N3S.2ClH/c1-2-15-16(3-1)21-17(19-15)14-6-4-13(5-7-14)12-20-10-8-18-9-11-20;;/h4-7,18H,1-3,8-12H2;2*1H
InChIKeyIUFAPPWAGZLMAW-UHFFFAOYSA-N
MW372.37 g/mol
LogP3.55
Rot. Bonds3

About 2-[4-(piperazin-1-ylmethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;dihydrochloride

2-[4-(piperazin-1-ylmethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;dihydrochloride (PubChem CID 82021800) has the molecular formula C17H23Cl2N3S and a molecular weight of 372.37 g/mol. Its IUPAC name is 2-[4-(piperazin-1-ylmethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;dihydrochloride.

Molecular Properties

Compound Name2-[4-(piperazin-1-ylmethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;dihydrochloride
PubChem CID82021800
Molecular FormulaC17H23Cl2N3S
Molecular Weight372.37 g/mol
Exact Mass371.10
IUPAC Name2-[4-(piperazin-1-ylmethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;dihydrochloride
SMILESCl.Cl.c1cc(-c2nc3c(s2)CCC3)ccc1CN1CCNCC1
InChIInChI=1S/C17H21N3S.2ClH/c1-2-15-16(3-1)21-17(19-15)14-6-4-13(5-7-14)12-20-10-8-18-9-11-20;;/h4-7,18H,1-3,8-12H2;2*1H
InChIKeyIUFAPPWAGZLMAW-UHFFFAOYSA-N
XLogP3.55
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(piperazin-1-ylmethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;dihydrochloride with MolForge

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Related Compounds

2-(4-chlorophenyl)-N-[[4-(piperazin-1-ylmethyl)phenyl]methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 166380751
2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 14531647
1-[[4-(1,4,7,10-tetrazacyclododec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
CID 12979841
1-methyl-3-[4-(5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepin-2-yl)phenyl]imidazolidin-2-one
CID 68824245
azane;1-benzylpiperazine
CID 174866973
1-[(4-ethylphenyl)methyl]-1,4-diazepane;hydrochloride
CID 119906411
4-[[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phenyl]methyl]morpholine
CID 50974345
[4-(piperazin-1-ylmethyl)phenyl]phosphane
CID 21334669
1-[(4-chlorophenyl)methyl]-1,4-diazepane
CID 15634377
2-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 62548084
2-(4-chlorophenyl)-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[5,4-b]azepine
CID 10244587
1-benzylimidazolidine;hydrochloride
CID 141144988

Frequently Asked Questions

What is the IUPAC name of 2-[4-(piperazin-1-ylmethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;dihydrochloride?
The IUPAC name of 2-[4-(piperazin-1-ylmethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;dihydrochloride (CID 82021800) is 2-[4-(piperazin-1-ylmethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;dihydrochloride.
What is the SMILES notation for 2-[4-(piperazin-1-ylmethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;dihydrochloride?
The canonical SMILES for 2-[4-(piperazin-1-ylmethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;dihydrochloride is Cl.Cl.c1cc(-c2nc3c(s2)CCC3)ccc1CN1CCNCC1.
What is the InChIKey of 2-[4-(piperazin-1-ylmethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;dihydrochloride?
The InChIKey is IUFAPPWAGZLMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3S.2ClH/c1-2-15-16(3-1)21-17(19-15)14-6-4-13(5-7-14)12-20-10-8-18-9-11-20;;/h4-7,18H,1-3,8-12H2;2*1H.
What are the key properties of 2-[4-(piperazin-1-ylmethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;dihydrochloride?
2-[4-(piperazin-1-ylmethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;dihydrochloride has a molecular weight of 372.37 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(piperazin-1-ylmethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;dihydrochloride is sourced from PubChem (CID 82021800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).