2-[2-(5-aminopentyl)-1,3-thiazol-4-yl]-N-(4-methylpiperazin-1-yl)acetamide

C15H27N5OS — CID 110450519

IUPAC2-[2-(5-aminopentyl)-1,3-thiazol-4-yl]-N-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(NC(=O)Cc2csc(CCCCCN)n2)CC1
InChIInChI=1S/C15H27N5OS/c1-19-7-9-20(10-8-19)18-14(21)11-13-12-22-15(17-13)5-3-2-4-6-16/h12H,2-11,16H2,1H3,(H,18,21)
InChIKeyCMAJWPSCCFIVRI-UHFFFAOYSA-N
MW325.48 g/mol
LogP0.64
Rot. Bonds8

About 2-[2-(5-aminopentyl)-1,3-thiazol-4-yl]-N-(4-methylpiperazin-1-yl)acetamide

2-[2-(5-aminopentyl)-1,3-thiazol-4-yl]-N-(4-methylpiperazin-1-yl)acetamide (PubChem CID 110450519) has the molecular formula C15H27N5OS and a molecular weight of 325.48 g/mol. Its IUPAC name is 2-[2-(5-aminopentyl)-1,3-thiazol-4-yl]-N-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound Name2-[2-(5-aminopentyl)-1,3-thiazol-4-yl]-N-(4-methylpiperazin-1-yl)acetamide
PubChem CID110450519
Molecular FormulaC15H27N5OS
Molecular Weight325.48 g/mol
Exact Mass325.19
IUPAC Name2-[2-(5-aminopentyl)-1,3-thiazol-4-yl]-N-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(NC(=O)Cc2csc(CCCCCN)n2)CC1
InChIInChI=1S/C15H27N5OS/c1-19-7-9-20(10-8-19)18-14(21)11-13-12-22-15(17-13)5-3-2-4-6-16/h12H,2-11,16H2,1H3,(H,18,21)
InChIKeyCMAJWPSCCFIVRI-UHFFFAOYSA-N
XLogP0.64
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(5-aminopentyl)-1,3-thiazol-4-yl]acetamide
CID 82547698
ethyl 4-[2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetyl]piperazine-1-carboxylate
CID 110450872
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide
CID 110450848
ethyl 2-[2-(4-aminobutyl)-1,3-thiazol-4-yl]acetate
CID 107380238
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 110450611
methyl 1-[2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate
CID 110450716
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 82547668
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(4-hydroxycyclohexyl)acetamide
CID 82547664
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(4-hydroxyphenyl)acetamide
CID 82547722
4-[[2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 82547800
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 110450657
ethyl 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetate
CID 107380154

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-aminopentyl)-1,3-thiazol-4-yl]-N-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of 2-[2-(5-aminopentyl)-1,3-thiazol-4-yl]-N-(4-methylpiperazin-1-yl)acetamide (CID 110450519) is 2-[2-(5-aminopentyl)-1,3-thiazol-4-yl]-N-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for 2-[2-(5-aminopentyl)-1,3-thiazol-4-yl]-N-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for 2-[2-(5-aminopentyl)-1,3-thiazol-4-yl]-N-(4-methylpiperazin-1-yl)acetamide is CN1CCN(NC(=O)Cc2csc(CCCCCN)n2)CC1.
What is the InChIKey of 2-[2-(5-aminopentyl)-1,3-thiazol-4-yl]-N-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is CMAJWPSCCFIVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5OS/c1-19-7-9-20(10-8-19)18-14(21)11-13-12-22-15(17-13)5-3-2-4-6-16/h12H,2-11,16H2,1H3,(H,18,21).
What are the key properties of 2-[2-(5-aminopentyl)-1,3-thiazol-4-yl]-N-(4-methylpiperazin-1-yl)acetamide?
2-[2-(5-aminopentyl)-1,3-thiazol-4-yl]-N-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 325.48 g/mol, XLogP of 0.64, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-aminopentyl)-1,3-thiazol-4-yl]-N-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 110450519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).