N-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]methyl]butan-1-amine

C13H24N4S — CID 82514930

IUPACN-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]methyl]butan-1-amine
SMILESCCCCNCc1csc(N2CCN(C)CC2)n1
InChIInChI=1S/C13H24N4S/c1-3-4-5-14-10-12-11-18-13(15-12)17-8-6-16(2)7-9-17/h11,14H,3-10H2,1-2H3
InChIKeyOALVKXXSYPCGOV-UHFFFAOYSA-N
MW268.43 g/mol
LogP1.78
Rot. Bonds6

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

N-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]methyl]butan-1-amine (PubChem CID 82514930) has the molecular formula C13H24N4S and a molecular weight of 268.43 g/mol. Its IUPAC name is N-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]methyl]butan-1-amine
PubChem CID82514930
Molecular FormulaC13H24N4S
Molecular Weight268.43 g/mol
Exact Mass268.17
IUPAC NameN-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]methyl]butan-1-amine
SMILESCCCCNCc1csc(N2CCN(C)CC2)n1
InChIInChI=1S/C13H24N4S/c1-3-4-5-14-10-12-11-18-13(15-12)17-8-6-16(2)7-9-17/h11,14H,3-10H2,1-2H3
InChIKeyOALVKXXSYPCGOV-UHFFFAOYSA-N
XLogP1.78
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 51.78
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-methylpiperidin-1-yl)-1,3-thiazol-4-yl]methyl]butan-1-amine
CID 82514954
N-[[2-(7,7-dimethyl-1,4-thiazepan-4-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 107459872
2-(4-methylpiperazin-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 60701292
2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanone
CID 62757081
4-[4-(propylaminomethyl)-1,3-thiazol-2-yl]morpholine-2-carbonitrile
CID 79680633
N-[[2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82427959
N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]butan-1-amine
CID 62558685
N-[[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4-yl]methyl]cyclopentanamine
CID 82514904
N-[[2-(7,7-dimethyl-1,4-thiazepan-4-yl)-1,3-thiazol-4-yl]methyl]-2-methylpropan-1-amine
CID 107459866
4-(bromomethyl)-2-(4-ethylpiperazin-1-yl)-1,3-thiazole
CID 82514901
2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carbohydrazide
CID 67450642
ethyl 3-[2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-4-yl]propanoate
CID 103486045

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]methyl]butan-1-amine?
The IUPAC name of N-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]methyl]butan-1-amine (CID 82514930) is N-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]methyl]butan-1-amine.
What is the SMILES notation for N-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]methyl]butan-1-amine?
The canonical SMILES for N-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]methyl]butan-1-amine is CCCCNCc1csc(N2CCN(C)CC2)n1.
What is the InChIKey of N-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]methyl]butan-1-amine?
The InChIKey is OALVKXXSYPCGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S/c1-3-4-5-14-10-12-11-18-13(15-12)17-8-6-16(2)7-9-17/h11,14H,3-10H2,1-2H3.
What are the key properties of N-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]methyl]butan-1-amine?
N-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]methyl]butan-1-amine has a molecular weight of 268.43 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]methyl]butan-1-amine is sourced from PubChem (CID 82514930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).