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

C14H26N4S — CID 54883757

IUPACN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
SMILESCCc1ncc(CNCCCN2CCN(C)CC2)s1
InChIInChI=1S/C14H26N4S/c1-3-14-16-12-13(19-14)11-15-5-4-6-18-9-7-17(2)8-10-18/h12,15H,3-11H2,1-2H3
InChIKeyTZYUWWKOJBUPNV-UHFFFAOYSA-N
MW282.46 g/mol
LogP1.43
Rot. Bonds7

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

N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine (PubChem CID 54883757) has the molecular formula C14H26N4S and a molecular weight of 282.46 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
PubChem CID54883757
Molecular FormulaC14H26N4S
Molecular Weight282.46 g/mol
Exact Mass282.19
IUPAC NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
SMILESCCc1ncc(CNCCCN2CCN(C)CC2)s1
InChIInChI=1S/C14H26N4S/c1-3-14-16-12-13(19-14)11-15-5-4-6-18-9-7-17(2)8-10-18/h12,15H,3-11H2,1-2H3
InChIKeyTZYUWWKOJBUPNV-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
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-ethyl-1,3-thiazol-5-yl)methyl]-2-morpholin-4-ylethanamine
CID 54883121
N'-[(2-ethyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine
CID 60982775
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 60982755
2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]ethanol
CID 60982756
2-ethylsulfonyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 115684331
5-[(2-ethyl-1,3-thiazol-5-yl)methylamino]pentan-2-ol
CID 107267939
2-cyclopentyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 60983544
N-[[2-(azepan-1-ylmethyl)-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82425126
1-(2-ethyl-1,3-thiazol-5-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103741081
1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-[3-(4-methyl-1,4-diazepan-1-yl)propyl]guanidine;hydroiodide
CID 111532098
methyl 3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]propanoate
CID 60982151
N-[[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82425037

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine (CID 54883757) is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine is CCc1ncc(CNCCCN2CCN(C)CC2)s1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine?
The InChIKey is TZYUWWKOJBUPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4S/c1-3-14-16-12-13(19-14)11-15-5-4-6-18-9-7-17(2)8-10-18/h12,15H,3-11H2,1-2H3.
What are the key properties of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine?
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine has a molecular weight of 282.46 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 54883757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).