N-[[2-(4-cyclopropylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine

C15H26N4OS — CID 62767419

IUPACN-[[2-(4-cyclopropylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1sc(N2CCN(C3CC3)CC2)nc1C
InChIInChI=1S/C15H26N4OS/c1-12-14(11-16-5-10-20-2)21-15(17-12)19-8-6-18(7-9-19)13-3-4-13/h13,16H,3-11H2,1-2H3
InChIKeyOCYGGQRJTSRARH-UHFFFAOYSA-N
MW310.47 g/mol
LogP1.47
Rot. Bonds7

About N-[[2-(4-cyclopropylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine

N-[[2-(4-cyclopropylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine (PubChem CID 62767419) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is N-[[2-(4-cyclopropylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[2-(4-cyclopropylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine
PubChem CID62767419
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC NameN-[[2-(4-cyclopropylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1sc(N2CCN(C3CC3)CC2)nc1C
InChIInChI=1S/C15H26N4OS/c1-12-14(11-16-5-10-20-2)21-15(17-12)19-8-6-18(7-9-19)13-3-4-13/h13,16H,3-11H2,1-2H3
InChIKeyOCYGGQRJTSRARH-UHFFFAOYSA-N
XLogP1.47
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-cyclopropylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[2-(4-cyclopropylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine (CID 62767419) is N-[[2-(4-cyclopropylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[2-(4-cyclopropylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[2-(4-cyclopropylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine is COCCNCc1sc(N2CCN(C3CC3)CC2)nc1C.
What is the InChIKey of N-[[2-(4-cyclopropylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine?
The InChIKey is OCYGGQRJTSRARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-12-14(11-16-5-10-20-2)21-15(17-12)19-8-6-18(7-9-19)13-3-4-13/h13,16H,3-11H2,1-2H3.
What are the key properties of N-[[2-(4-cyclopropylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine?
N-[[2-(4-cyclopropylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine has a molecular weight of 310.47 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-cyclopropylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 62767419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).