N-[[2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]butan-1-amine

C15H28N4S — CID 82427959

IUPACN-[[2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]butan-1-amine
SMILESCCCCNCc1sc(N2CCN(CC)CC2)nc1C
InChIInChI=1S/C15H28N4S/c1-4-6-7-16-12-14-13(3)17-15(20-14)19-10-8-18(5-2)9-11-19/h16H,4-12H2,1-3H3
InChIKeyRVOWTTJBYKCFJQ-UHFFFAOYSA-N
MW296.48 g/mol
LogP2.48
Rot. Bonds7

About N-[[2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]butan-1-amine

N-[[2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]butan-1-amine (PubChem CID 82427959) has the molecular formula C15H28N4S and a molecular weight of 296.48 g/mol. Its IUPAC name is N-[[2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]butan-1-amine
PubChem CID82427959
Molecular FormulaC15H28N4S
Molecular Weight296.48 g/mol
Exact Mass296.20
IUPAC NameN-[[2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]butan-1-amine
SMILESCCCCNCc1sc(N2CCN(CC)CC2)nc1C
InChIInChI=1S/C15H28N4S/c1-4-6-7-16-12-14-13(3)17-15(20-14)19-10-8-18(5-2)9-11-19/h16H,4-12H2,1-3H3
InChIKeyRVOWTTJBYKCFJQ-UHFFFAOYSA-N
XLogP2.48
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 52.48
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-[[4-methyl-2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 62766055
N-[[2-(azocan-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 55117264
2-methyl-N-[[4-methyl-2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62766220
N-[[2-(4-ethylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 62764109
N-[[4-methyl-2-(1,4-thiazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62767244
N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]ethanamine
CID 46785724
N-[[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 63026386
N-methyl-1-[4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine
CID 62970042
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pentan-1-amine
CID 64539296
N-[[2-(4-cyclopropylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine
CID 62767419
2-methoxy-N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 103503705
N-[[2-(4-ethyl-3-methylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 55215655

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]butan-1-amine?
The IUPAC name of N-[[2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]butan-1-amine (CID 82427959) is N-[[2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]butan-1-amine.
What is the SMILES notation for N-[[2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]butan-1-amine?
The canonical SMILES for N-[[2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]butan-1-amine is CCCCNCc1sc(N2CCN(CC)CC2)nc1C.
What is the InChIKey of N-[[2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]butan-1-amine?
The InChIKey is RVOWTTJBYKCFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4S/c1-4-6-7-16-12-14-13(3)17-15(20-14)19-10-8-18(5-2)9-11-19/h16H,4-12H2,1-3H3.
What are the key properties of N-[[2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]butan-1-amine?
N-[[2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]butan-1-amine has a molecular weight of 296.48 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]butan-1-amine is sourced from PubChem (CID 82427959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).