2-[(4-ethylpiperazin-1-yl)methyl]-4-propyl-1,3-thiazole-5-carboxylic acid

C14H23N3O2S — CID 82227270

IUPAC2-[(4-ethylpiperazin-1-yl)methyl]-4-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(CN2CCN(CC)CC2)sc1C(=O)O
InChIInChI=1S/C14H23N3O2S/c1-3-5-11-13(14(18)19)20-12(15-11)10-17-8-6-16(4-2)7-9-17/h3-10H2,1-2H3,(H,18,19)
InChIKeyLNFSUTNQOGCPCF-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.93
Rot. Bonds6

About 2-[(4-ethylpiperazin-1-yl)methyl]-4-propyl-1,3-thiazole-5-carboxylic acid

2-[(4-ethylpiperazin-1-yl)methyl]-4-propyl-1,3-thiazole-5-carboxylic acid (PubChem CID 82227270) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-[(4-ethylpiperazin-1-yl)methyl]-4-propyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(4-ethylpiperazin-1-yl)methyl]-4-propyl-1,3-thiazole-5-carboxylic acid
PubChem CID82227270
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name2-[(4-ethylpiperazin-1-yl)methyl]-4-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(CN2CCN(CC)CC2)sc1C(=O)O
InChIInChI=1S/C14H23N3O2S/c1-3-5-11-13(14(18)19)20-12(15-11)10-17-8-6-16(4-2)7-9-17/h3-10H2,1-2H3,(H,18,19)
InChIKeyLNFSUTNQOGCPCF-UHFFFAOYSA-N
XLogP1.93
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-carboxypiperidin-1-yl)methyl]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 94970835
2-(azepan-1-ylmethyl)-4-butyl-1,3-thiazole-5-carboxylic acid
CID 82227287
4-ethyl-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxylic acid
CID 82227254
4-propyl-2-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxylic acid
CID 114359672
4-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazole-5-carbothioamide
CID 82430618
2-bromo-4-propyl-1,3-thiazole-5-carboxylic acid
CID 13015610
2-amino-4-propyl-1,3-thiazole-5-carboxylic acid
CID 82225421
2-methoxy-4-propyl-1,3-thiazole-5-carboxylic acid
CID 19885485
2-(4-ethylmorpholin-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114359699
4-butyl-2-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxylic acid
CID 82227551
2,4-dihexyl-1,3-thiazole-5-carboxylic acid
CID 19885477
2-[(4-methylphenyl)methyl]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 82154835

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylpiperazin-1-yl)methyl]-4-propyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[(4-ethylpiperazin-1-yl)methyl]-4-propyl-1,3-thiazole-5-carboxylic acid (CID 82227270) is 2-[(4-ethylpiperazin-1-yl)methyl]-4-propyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[(4-ethylpiperazin-1-yl)methyl]-4-propyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[(4-ethylpiperazin-1-yl)methyl]-4-propyl-1,3-thiazole-5-carboxylic acid is CCCc1nc(CN2CCN(CC)CC2)sc1C(=O)O.
What is the InChIKey of 2-[(4-ethylpiperazin-1-yl)methyl]-4-propyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is LNFSUTNQOGCPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-3-5-11-13(14(18)19)20-12(15-11)10-17-8-6-16(4-2)7-9-17/h3-10H2,1-2H3,(H,18,19).
What are the key properties of 2-[(4-ethylpiperazin-1-yl)methyl]-4-propyl-1,3-thiazole-5-carboxylic acid?
2-[(4-ethylpiperazin-1-yl)methyl]-4-propyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 297.42 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylpiperazin-1-yl)methyl]-4-propyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82227270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).