N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]butan-1-amine

C14H26N4S — CID 62558685

IUPACN-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]butan-1-amine
SMILESCCCCNCC(C)N1CCN(c2nccs2)CC1
InChIInChI=1S/C14H26N4S/c1-3-4-5-15-12-13(2)17-7-9-18(10-8-17)14-16-6-11-19-14/h6,11,13,15H,3-5,7-10,12H2,1-2H3
InChIKeyLVMRGXMWONSGRR-UHFFFAOYSA-N
MW282.46 g/mol
LogP2.04
Rot. Bonds7

About N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]butan-1-amine

N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]butan-1-amine (PubChem CID 62558685) has the molecular formula C14H26N4S and a molecular weight of 282.46 g/mol. Its IUPAC name is N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]butan-1-amine.

Molecular Properties

Compound NameN-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]butan-1-amine
PubChem CID62558685
Molecular FormulaC14H26N4S
Molecular Weight282.46 g/mol
Exact Mass282.19
IUPAC NameN-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]butan-1-amine
SMILESCCCCNCC(C)N1CCN(c2nccs2)CC1
InChIInChI=1S/C14H26N4S/c1-3-4-5-15-12-13(2)17-7-9-18(10-8-17)14-16-6-11-19-14/h6,11,13,15H,3-5,7-10,12H2,1-2H3
InChIKeyLVMRGXMWONSGRR-UHFFFAOYSA-N
XLogP2.04
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-pyridin-2-ylpiperazin-1-yl)propyl]hexan-1-amine
CID 13345125
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]propyl]butan-1-amine
CID 62558359
N-[2-(azepan-1-yl)propyl]butan-1-amine
CID 62557297
2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentanoic acid
CID 83042107
1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol
CID 60885531
2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 18136601
2-methyl-N-propan-2-yl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine
CID 62425655
2,2-dimethyl-N-propyl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine
CID 62263028
N-[2-(4-ethylpiperazin-1-yl)propyl]pentan-1-amine
CID 62557992
N-(2-methoxyethyl)-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-amine
CID 62569125
N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]butane-1-sulfonamide
CID 90597476
N'-[2-(4-methylpiperazin-1-yl)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111090444

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]butan-1-amine?
The IUPAC name of N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]butan-1-amine (CID 62558685) is N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]butan-1-amine.
What is the SMILES notation for N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]butan-1-amine?
The canonical SMILES for N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]butan-1-amine is CCCCNCC(C)N1CCN(c2nccs2)CC1.
What is the InChIKey of N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]butan-1-amine?
The InChIKey is LVMRGXMWONSGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4S/c1-3-4-5-15-12-13(2)17-7-9-18(10-8-17)14-16-6-11-19-14/h6,11,13,15H,3-5,7-10,12H2,1-2H3.
What are the key properties of N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]butan-1-amine?
N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]butan-1-amine has a molecular weight of 282.46 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]butan-1-amine is sourced from PubChem (CID 62558685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).