methyl 3-[2-(4-methylpiperazin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylate

C12H21N3O3S — CID 14548324

IUPACmethyl 3-[2-(4-methylpiperazin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)C1CSCN1C(=O)CN1CCN(C)CC1
InChIInChI=1S/C12H21N3O3S/c1-13-3-5-14(6-4-13)7-11(16)15-9-19-8-10(15)12(17)18-2/h10H,3-9H2,1-2H3
InChIKeyFAXKDRGZUPQSQS-UHFFFAOYSA-N
MW287.38 g/mol
LogP-0.69
Rot. Bonds3

About methyl 3-[2-(4-methylpiperazin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylate

methyl 3-[2-(4-methylpiperazin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylate (PubChem CID 14548324) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is methyl 3-[2-(4-methylpiperazin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-[2-(4-methylpiperazin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylate
PubChem CID14548324
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC Namemethyl 3-[2-(4-methylpiperazin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)C1CSCN1C(=O)CN1CCN(C)CC1
InChIInChI=1S/C12H21N3O3S/c1-13-3-5-14(6-4-13)7-11(16)15-9-19-8-10(15)12(17)18-2/h10H,3-9H2,1-2H3
InChIKeyFAXKDRGZUPQSQS-UHFFFAOYSA-N
XLogP-0.69
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 5-0.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-(2-aminoacetyl)-1,3-thiazolidine-4-carboxylate
CID 20624262
methyl 3-carbonochloridoyl-1,3-thiazolidine-4-carboxylate
CID 3023680
methyl (4R)-3-[2-(1,3-dioxoisoindol-2-yl)acetyl]-1,3-thiazolidine-4-carboxylate
CID 95989117
methyl (4R)-3-[[(4R)-4-methoxycarbonyl-1,3-thiazolidin-3-yl]methyl]-1,3-thiazolidine-4-carboxylate
CID 11833733
methyl 3-(hydroxymethyl)-1,3-thiazolidine-4-carboxylate
CID 86153682
methyl 3-[4-[(4-methylphenyl)methylamino]-4-oxobutanoyl]-1,3-thiazolidine-4-carboxylate
CID 14457934
1,2-bis(4-methylpiperazin-1-yl)ethanone
CID 160964399
2-(4-methylpiperazin-1-yl)-1-thiomorpholin-4-ylethanone;hydrochloride
CID 141282444
methyl 3-benzyl-1,3-thiazolidine-4-carboxylate;3-propanoyl-1,3-thiazolidine-4-carboxylic acid
CID 159766642
ethane;1-(4-methoxypiperidin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 171833651
methyl 2-[2-(azepan-1-yl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 86908624
1-[4-(4-ethylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]pentan-1-one
CID 42744753

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(4-methylpiperazin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylate?
The IUPAC name of methyl 3-[2-(4-methylpiperazin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylate (CID 14548324) is methyl 3-[2-(4-methylpiperazin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for methyl 3-[2-(4-methylpiperazin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for methyl 3-[2-(4-methylpiperazin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylate is COC(=O)C1CSCN1C(=O)CN1CCN(C)CC1.
What is the InChIKey of methyl 3-[2-(4-methylpiperazin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylate?
The InChIKey is FAXKDRGZUPQSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-13-3-5-14(6-4-13)7-11(16)15-9-19-8-10(15)12(17)18-2/h10H,3-9H2,1-2H3.
What are the key properties of methyl 3-[2-(4-methylpiperazin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylate?
methyl 3-[2-(4-methylpiperazin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylate has a molecular weight of 287.38 g/mol, XLogP of -0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(4-methylpiperazin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 14548324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).