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

C14H26N4S — CID 82515435

IUPACN-[[2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1csc(CN2CCN(CC)CC2)n1
InChIInChI=1S/C14H26N4S/c1-3-5-15-10-13-12-19-14(16-13)11-18-8-6-17(4-2)7-9-18/h12,15H,3-11H2,1-2H3
InChIKeyORYIABYZMWYWCF-UHFFFAOYSA-N
MW282.46 g/mol
LogP1.78
Rot. Bonds7

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

N-[[2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]methyl]propan-1-amine (PubChem CID 82515435) has the molecular formula C14H26N4S and a molecular weight of 282.46 g/mol. Its IUPAC name is N-[[2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]methyl]propan-1-amine
PubChem CID82515435
Molecular FormulaC14H26N4S
Molecular Weight282.46 g/mol
Exact Mass282.19
IUPAC NameN-[[2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1csc(CN2CCN(CC)CC2)n1
InChIInChI=1S/C14H26N4S/c1-3-5-15-10-13-12-19-14(16-13)11-18-8-6-17(4-2)7-9-18/h12,15H,3-11H2,1-2H3
InChIKeyORYIABYZMWYWCF-UHFFFAOYSA-N
XLogP1.78
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 ≤ 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

[2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]methanamine
CID 82515423
N-[[4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62429350
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 55070041
2-(piperidin-1-ylmethyl)-N-propyl-1,3-thiazol-4-amine
CID 90965970
N-[[2-[2-(diethylamino)ethyl]-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 61281052
N-[[2-(4-ethylmorpholin-2-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 79669267
N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]propan-1-amine
CID 66192578
N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]butan-2-amine
CID 82515489
N-[[4-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62974619
1-(4-ethylpiperazin-1-yl)-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]ethanone
CID 110386954
4-(bromomethyl)-2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 82515456
N-[[4-(azocan-1-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62417685

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]methyl]propan-1-amine (CID 82515435) is N-[[2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]methyl]propan-1-amine is CCCNCc1csc(CN2CCN(CC)CC2)n1.
What is the InChIKey of N-[[2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]methyl]propan-1-amine?
The InChIKey is ORYIABYZMWYWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4S/c1-3-5-15-10-13-12-19-14(16-13)11-18-8-6-17(4-2)7-9-18/h12,15H,3-11H2,1-2H3.
What are the key properties of N-[[2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]methyl]propan-1-amine?
N-[[2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]methyl]propan-1-amine has a molecular weight of 282.46 g/mol, XLogP of 1.78, 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)methyl]-1,3-thiazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 82515435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).