N-[[2-(3,4-dimethylpiperazin-1-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine

C16H30N4S — CID 63620869

IUPACN-[[2-(3,4-dimethylpiperazin-1-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCCc1nc(N2CCN(C)C(C)C2)sc1CNCC(C)C
InChIInChI=1S/C16H30N4S/c1-6-14-15(10-17-9-12(2)3)21-16(18-14)20-8-7-19(5)13(4)11-20/h12-13,17H,6-11H2,1-5H3
InChIKeyLQQCZBRALWLKEX-UHFFFAOYSA-N
MW310.51 g/mol
LogP2.59
Rot. Bonds6

About N-[[2-(3,4-dimethylpiperazin-1-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine

N-[[2-(3,4-dimethylpiperazin-1-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 63620869) has the molecular formula C16H30N4S and a molecular weight of 310.51 g/mol. Its IUPAC name is N-[[2-(3,4-dimethylpiperazin-1-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(3,4-dimethylpiperazin-1-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID63620869
Molecular FormulaC16H30N4S
Molecular Weight310.51 g/mol
Exact Mass310.22
IUPAC NameN-[[2-(3,4-dimethylpiperazin-1-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCCc1nc(N2CCN(C)C(C)C2)sc1CNCC(C)C
InChIInChI=1S/C16H30N4S/c1-6-14-15(10-17-9-12(2)3)21-16(18-14)20-8-7-19(5)13(4)11-20/h12-13,17H,6-11H2,1-5H3
InChIKeyLQQCZBRALWLKEX-UHFFFAOYSA-N
XLogP2.59
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-(3,4-dimethylpiperazin-1-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine with MolForge

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Related Compounds

N-[[4-ethyl-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62767706
1-[4-ethyl-2-(4-ethyl-3-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 63621900
N-[[4-(methoxymethyl)-2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 107509487
N-[[2-(3-ethylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62767813
N-[[2-(3-ethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 107510717
N-[[2-(2,2-dimethylpyrrolidin-1-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 63219194
N-[[4-propyl-2-(3,4,5-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114540518
N-[[2-(3-ethyl-4-methylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 63619349
N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 79935765
N-[[4-ethyl-2-(3-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine
CID 62768502
[2-(3,4-dimethylpiperazin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 107511051
2-methyl-N-[[4-methyl-2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62766220

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4-dimethylpiperazin-1-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(3,4-dimethylpiperazin-1-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (CID 63620869) is N-[[2-(3,4-dimethylpiperazin-1-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(3,4-dimethylpiperazin-1-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(3,4-dimethylpiperazin-1-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is CCc1nc(N2CCN(C)C(C)C2)sc1CNCC(C)C.
What is the InChIKey of N-[[2-(3,4-dimethylpiperazin-1-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is LQQCZBRALWLKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4S/c1-6-14-15(10-17-9-12(2)3)21-16(18-14)20-8-7-19(5)13(4)11-20/h12-13,17H,6-11H2,1-5H3.
What are the key properties of N-[[2-(3,4-dimethylpiperazin-1-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
N-[[2-(3,4-dimethylpiperazin-1-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 310.51 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,4-dimethylpiperazin-1-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63620869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).