2-methoxy-N-[[4-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine

C15H28N4OS — CID 141127135

IUPAC2-methoxy-N-[[4-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCOCCNCc1nc(CN2CCN(C(C)C)CC2)cs1
InChIInChI=1S/C15H28N4OS/c1-13(2)19-7-5-18(6-8-19)11-14-12-21-15(17-14)10-16-4-9-20-3/h12-13,16H,4-11H2,1-3H3
InChIKeyDRUGRXUZVXYBAJ-UHFFFAOYSA-N
MW312.48 g/mol
LogP1.41
Rot. Bonds8

About 2-methoxy-N-[[4-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine

2-methoxy-N-[[4-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine (PubChem CID 141127135) has the molecular formula C15H28N4OS and a molecular weight of 312.48 g/mol. Its IUPAC name is 2-methoxy-N-[[4-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[4-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine
PubChem CID141127135
Molecular FormulaC15H28N4OS
Molecular Weight312.48 g/mol
Exact Mass312.20
IUPAC Name2-methoxy-N-[[4-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCOCCNCc1nc(CN2CCN(C(C)C)CC2)cs1
InChIInChI=1S/C15H28N4OS/c1-13(2)19-7-5-18(6-8-19)11-14-12-21-15(17-14)10-16-4-9-20-3/h12-13,16H,4-11H2,1-3H3
InChIKeyDRUGRXUZVXYBAJ-UHFFFAOYSA-N
XLogP1.41
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methoxy-N-[[4-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine with MolForge

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Related Compounds

(4-Isopropyl-piperazin-1-yl)-{2-[(2-methoxy-ethylamino)-methyl]-thiazol-4-yl}-methanone
CID 11558917
1-((2-Methyl-1,3-thiazol-4-yl)methyl)piperazine
CID 16227460
4-[(2-Propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine
CID 51086508
(2-(Methoxymethyl)-1,3-thiazol-4-yl)methanamine
CID 28948312
1-(4-methylmorpholin-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 53551612
1-(4-cyclopropylmorpholin-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 53584391
N-[[2-(3-methylbutyl)-1,3-thiazol-4-yl]methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 53607183
1-{[2-(1-Ethoxyethyl)-1,3-thiazol-4-yl]methyl}piperazine
CID 54595740
1-{[2-(1-Methoxyethyl)-1,3-thiazol-4-yl]methyl}-1,4-diazepane
CID 71755634
1-{[2-(1-Methoxyethyl)-1,3-thiazol-4-yl]methyl}piperazine
CID 71755635
1-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-propan-2-ylpiperidin-4-amine
CID 72008385
1-(4-ethylmorpholin-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 72043649

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[4-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[4-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine (CID 141127135) is 2-methoxy-N-[[4-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[4-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[4-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine is COCCNCc1nc(CN2CCN(C(C)C)CC2)cs1.
What is the InChIKey of 2-methoxy-N-[[4-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine?
The InChIKey is DRUGRXUZVXYBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4OS/c1-13(2)19-7-5-18(6-8-19)11-14-12-21-15(17-14)10-16-4-9-20-3/h12-13,16H,4-11H2,1-3H3.
What are the key properties of 2-methoxy-N-[[4-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine?
2-methoxy-N-[[4-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine has a molecular weight of 312.48 g/mol, XLogP of 1.41, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[4-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 141127135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).