methyl 2-(1-piperazin-1-ylethyl)-4-propyl-1,3-thiazole-5-carboxylate

C14H23N3O2S — CID 114358781

IUPACmethyl 2-(1-piperazin-1-ylethyl)-4-propyl-1,3-thiazole-5-carboxylate
SMILESCCCc1nc(C(C)N2CCNCC2)sc1C(=O)OC
InChIInChI=1S/C14H23N3O2S/c1-4-5-11-12(14(18)19-3)20-13(16-11)10(2)17-8-6-15-7-9-17/h10,15H,4-9H2,1-3H3
InChIKeyRVHZVHRFRPYKMI-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.85
Rot. Bonds5

About methyl 2-(1-piperazin-1-ylethyl)-4-propyl-1,3-thiazole-5-carboxylate

methyl 2-(1-piperazin-1-ylethyl)-4-propyl-1,3-thiazole-5-carboxylate (PubChem CID 114358781) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is methyl 2-(1-piperazin-1-ylethyl)-4-propyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1-piperazin-1-ylethyl)-4-propyl-1,3-thiazole-5-carboxylate
PubChem CID114358781
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Namemethyl 2-(1-piperazin-1-ylethyl)-4-propyl-1,3-thiazole-5-carboxylate
SMILESCCCc1nc(C(C)N2CCNCC2)sc1C(=O)OC
InChIInChI=1S/C14H23N3O2S/c1-4-5-11-12(14(18)19-3)20-13(16-11)10(2)17-8-6-15-7-9-17/h10,15H,4-9H2,1-3H3
InChIKeyRVHZVHRFRPYKMI-UHFFFAOYSA-N
XLogP1.85
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-(1-piperazin-1-ylethyl)-4-propyl-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

methyl 4-tert-butyl-2-(1-piperazin-1-ylethyl)-1,3-thiazole-5-carboxylate
CID 114358772
4-cyclopropyl-2-(1-piperazin-1-ylethyl)-1,3-thiazole-5-carboxylic acid
CID 114358774
methyl 2-(1-methoxybutyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 116705463
methyl 2-(1-aminocyclobutyl)-4-propyl-1,3-thiazole-5-carboxylate
CID 114358753
2-[cyclopropyl(ethoxy)methyl]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114359644
methyl 2-(1-aminocycloheptyl)-4-propyl-1,3-thiazole-5-carboxylate
CID 114358543
2-pentan-3-yl-4-propyl-1,3-thiazole-5-carbohydrazide
CID 82432460
2-(1-piperazin-1-ylethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 63342292
2-bromo-4-propyl-1,3-thiazole-5-carboxylic acid
CID 13015610
1-[4-methyl-2-(1-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]ethanone
CID 82117127
methyl 2-(3-bromophenyl)-4-propyl-1,3-thiazole-5-carboxylate
CID 114374877
2-methoxy-4-propyl-1,3-thiazole-5-carboxylic acid
CID 19885485

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-piperazin-1-ylethyl)-4-propyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(1-piperazin-1-ylethyl)-4-propyl-1,3-thiazole-5-carboxylate (CID 114358781) is methyl 2-(1-piperazin-1-ylethyl)-4-propyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(1-piperazin-1-ylethyl)-4-propyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(1-piperazin-1-ylethyl)-4-propyl-1,3-thiazole-5-carboxylate is CCCc1nc(C(C)N2CCNCC2)sc1C(=O)OC.
What is the InChIKey of methyl 2-(1-piperazin-1-ylethyl)-4-propyl-1,3-thiazole-5-carboxylate?
The InChIKey is RVHZVHRFRPYKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-4-5-11-12(14(18)19-3)20-13(16-11)10(2)17-8-6-15-7-9-17/h10,15H,4-9H2,1-3H3.
What are the key properties of methyl 2-(1-piperazin-1-ylethyl)-4-propyl-1,3-thiazole-5-carboxylate?
methyl 2-(1-piperazin-1-ylethyl)-4-propyl-1,3-thiazole-5-carboxylate has a molecular weight of 297.42 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-piperazin-1-ylethyl)-4-propyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 114358781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).