methyl 3-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propanoate

C12H19N3O2S — CID 78982405

IUPACmethyl 3-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(Cc2cscn2)CC1
InChIInChI=1S/C12H19N3O2S/c1-17-12(16)2-3-14-4-6-15(7-5-14)8-11-9-18-10-13-11/h9-10H,2-8H2,1H3
InChIKeyGFJPFQMOIJQHKM-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.82
Rot. Bonds5

About methyl 3-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propanoate

methyl 3-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propanoate (PubChem CID 78982405) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is methyl 3-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propanoate
PubChem CID78982405
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Namemethyl 3-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(Cc2cscn2)CC1
InChIInChI=1S/C12H19N3O2S/c1-17-12(16)2-3-14-4-6-15(7-5-14)8-11-9-18-10-13-11/h9-10H,2-8H2,1H3
InChIKeyGFJPFQMOIJQHKM-UHFFFAOYSA-N
XLogP0.82
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (2S)-2-(2-chlorophenyl)-2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]acetate
CID 51932574
methyl 3-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]propanoate
CID 113219646
methyl 3-[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]propanoate
CID 115537166
2-(2-methoxyethoxy)-1-[4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]propan-1-one
CID 86950787
3-methyl-4-[4-(1,3-thiazol-4-ylmethyl)piperazine-1-carbonyl]benzoic acid
CID 146143211
N-(cyclopropylmethyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine
CID 78924569
(4-ethylphenyl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone
CID 47025132
4-[(4-benzylpiperazin-1-yl)methyl]-1,3-thiazole
CID 51073552
4-[[4-(difluoromethylidene)piperidin-1-yl]methyl]-1,3-thiazole
CID 126834123
(4-amino-2-methylpyrimidin-5-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone
CID 138034187
4-[[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-thiazole
CID 136537455
1-[(6R)-6-hydroxy-4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]ethanone
CID 97121644

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propanoate?
The IUPAC name of methyl 3-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propanoate (CID 78982405) is methyl 3-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propanoate?
The canonical SMILES for methyl 3-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propanoate is COC(=O)CCN1CCN(Cc2cscn2)CC1.
What is the InChIKey of methyl 3-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propanoate?
The InChIKey is GFJPFQMOIJQHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-17-12(16)2-3-14-4-6-15(7-5-14)8-11-9-18-10-13-11/h9-10H,2-8H2,1H3.
What are the key properties of methyl 3-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propanoate?
methyl 3-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propanoate has a molecular weight of 269.37 g/mol, XLogP of 0.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propanoate is sourced from PubChem (CID 78982405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).