2-[phenyl(piperazin-1-yl)methyl]-1,3-thiazole;hydrochloride

C14H18ClN3S — CID 171137903

IUPAC2-[phenyl(piperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
SMILESCl.c1ccc(C(c2nccs2)N2CCNCC2)cc1
InChIInChI=1S/C14H17N3S.ClH/c1-2-4-12(5-3-1)13(14-16-8-11-18-14)17-9-6-15-7-10-17;/h1-5,8,11,13,15H,6-7,9-10H2;1H
InChIKeyZOCJDDDDICURHL-UHFFFAOYSA-N
MW295.84 g/mol
LogP2.56
Rot. Bonds3

About 2-[phenyl(piperazin-1-yl)methyl]-1,3-thiazole;hydrochloride

2-[phenyl(piperazin-1-yl)methyl]-1,3-thiazole;hydrochloride (PubChem CID 171137903) has the molecular formula C14H18ClN3S and a molecular weight of 295.84 g/mol. Its IUPAC name is 2-[phenyl(piperazin-1-yl)methyl]-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name2-[phenyl(piperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
PubChem CID171137903
Molecular FormulaC14H18ClN3S
Molecular Weight295.84 g/mol
Exact Mass295.09
IUPAC Name2-[phenyl(piperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
SMILESCl.c1ccc(C(c2nccs2)N2CCNCC2)cc1
InChIInChI=1S/C14H17N3S.ClH/c1-2-4-12(5-3-1)13(14-16-8-11-18-14)17-9-6-15-7-10-17;/h1-5,8,11,13,15H,6-7,9-10H2;1H
InChIKeyZOCJDDDDICURHL-UHFFFAOYSA-N
XLogP2.56
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[phenyl(pyridin-4-yl)methyl]piperazine
CID 5035634
1-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine;dihydrochloride
CID 24745687
1-[(S)-pyridin-2-yl(thiophen-2-yl)methyl]piperazine;dihydrochloride
CID 171287163
1-[(R)-(4-phenylphenyl)-thiophen-2-ylmethyl]piperazine
CID 171279536
4-[phenyl(piperazin-1-yl)methyl]quinoline
CID 3561540
2-[1-(1,4-diazepan-1-yl)propyl]-1,3-thiazole
CID 64948646
2-[(4-bromophenyl)-piperazin-1-ylmethyl]-1,3-benzothiazole
CID 4563390
1-[(S)-(3-methylphenyl)-phenylmethyl]piperazine
CID 92754605
1-[(R)-(4-phenoxyphenyl)-thiophen-2-ylmethyl]piperazine
CID 171279713
1-[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171281575
1-[(1S)-1-phenylethyl]piperazine;dihydrochloride
CID 57383523
(R)-phenyl(1,3-thiazol-2-yl)methanol
CID 10511917

Frequently Asked Questions

What is the IUPAC name of 2-[phenyl(piperazin-1-yl)methyl]-1,3-thiazole;hydrochloride?
The IUPAC name of 2-[phenyl(piperazin-1-yl)methyl]-1,3-thiazole;hydrochloride (CID 171137903) is 2-[phenyl(piperazin-1-yl)methyl]-1,3-thiazole;hydrochloride.
What is the SMILES notation for 2-[phenyl(piperazin-1-yl)methyl]-1,3-thiazole;hydrochloride?
The canonical SMILES for 2-[phenyl(piperazin-1-yl)methyl]-1,3-thiazole;hydrochloride is Cl.c1ccc(C(c2nccs2)N2CCNCC2)cc1.
What is the InChIKey of 2-[phenyl(piperazin-1-yl)methyl]-1,3-thiazole;hydrochloride?
The InChIKey is ZOCJDDDDICURHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S.ClH/c1-2-4-12(5-3-1)13(14-16-8-11-18-14)17-9-6-15-7-10-17;/h1-5,8,11,13,15H,6-7,9-10H2;1H.
What are the key properties of 2-[phenyl(piperazin-1-yl)methyl]-1,3-thiazole;hydrochloride?
2-[phenyl(piperazin-1-yl)methyl]-1,3-thiazole;hydrochloride has a molecular weight of 295.84 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[phenyl(piperazin-1-yl)methyl]-1,3-thiazole;hydrochloride is sourced from PubChem (CID 171137903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).