1-[4-(3-methylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]pentan-1-one;hydrochloride

C14H26ClN3O2S — CID 119579628

IUPAC1-[4-(3-methylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]pentan-1-one;hydrochloride
SMILESCCCCC(=O)N1CSCC1C(=O)N1CCNC(C)C1.Cl
InChIInChI=1S/C14H25N3O2S.ClH/c1-3-4-5-13(18)17-10-20-9-12(17)14(19)16-7-6-15-11(2)8-16;/h11-12,15H,3-10H2,1-2H3;1H
InChIKeyGBIGFNNGAYUZKQ-UHFFFAOYSA-N
MW335.90 g/mol
LogP1.32
Rot. Bonds4

About 1-[4-(3-methylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]pentan-1-one;hydrochloride

1-[4-(3-methylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]pentan-1-one;hydrochloride (PubChem CID 119579628) has the molecular formula C14H26ClN3O2S and a molecular weight of 335.90 g/mol. Its IUPAC name is 1-[4-(3-methylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]pentan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[4-(3-methylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]pentan-1-one;hydrochloride
PubChem CID119579628
Molecular FormulaC14H26ClN3O2S
Molecular Weight335.90 g/mol
Exact Mass335.14
IUPAC Name1-[4-(3-methylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]pentan-1-one;hydrochloride
SMILESCCCCC(=O)N1CSCC1C(=O)N1CCNC(C)C1.Cl
InChIInChI=1S/C14H25N3O2S.ClH/c1-3-4-5-13(18)17-10-20-9-12(17)14(19)16-7-6-15-11(2)8-16;/h11-12,15H,3-10H2,1-2H3;1H
InChIKeyGBIGFNNGAYUZKQ-UHFFFAOYSA-N
XLogP1.32
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.90
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-ethylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]pentan-1-one
CID 42744753
1-(3-pentanoyl-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylic acid
CID 119167612
1-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]pentan-1-one;hydrochloride
CID 119647278
1-[(3S)-3-methylpiperazin-1-yl]butan-1-one
CID 11355735
1-(3-butanoyl-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylic acid
CID 119166620
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119458398
1-[(3R)-3-methylpiperazin-1-yl]-3-propoxypropan-1-one
CID 81427683
3-pentanoyl-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119536892
1-(3-methylpiperazin-1-yl)-2-propylsulfanylethanone
CID 119578055
1-(7-methyl-1,4-diazepan-1-yl)pentan-1-one
CID 82241192
3-amino-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one;hydrochloride
CID 130616004
(2-ethoxycyclopropyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119580771

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]pentan-1-one;hydrochloride?
The IUPAC name of 1-[4-(3-methylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]pentan-1-one;hydrochloride (CID 119579628) is 1-[4-(3-methylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]pentan-1-one;hydrochloride.
What is the SMILES notation for 1-[4-(3-methylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]pentan-1-one;hydrochloride?
The canonical SMILES for 1-[4-(3-methylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]pentan-1-one;hydrochloride is CCCCC(=O)N1CSCC1C(=O)N1CCNC(C)C1.Cl.
What is the InChIKey of 1-[4-(3-methylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]pentan-1-one;hydrochloride?
The InChIKey is GBIGFNNGAYUZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S.ClH/c1-3-4-5-13(18)17-10-20-9-12(17)14(19)16-7-6-15-11(2)8-16;/h11-12,15H,3-10H2,1-2H3;1H.
What are the key properties of 1-[4-(3-methylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]pentan-1-one;hydrochloride?
1-[4-(3-methylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]pentan-1-one;hydrochloride has a molecular weight of 335.90 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]pentan-1-one;hydrochloride is sourced from PubChem (CID 119579628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).