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

C15H24N4OS — CID 66401292

IUPACN-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine
SMILESCCc1nc(Cn2nc(C)c(CNCCOC)c2C)cs1
InChIInChI=1S/C15H24N4OS/c1-5-15-17-13(10-21-15)9-19-12(3)14(11(2)18-19)8-16-6-7-20-4/h10,16H,5-9H2,1-4H3
InChIKeyILTCSJRZJMZALS-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.30
Rot. Bonds8

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

N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine (PubChem CID 66401292) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine
PubChem CID66401292
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC NameN-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine
SMILESCCc1nc(Cn2nc(C)c(CNCCOC)c2C)cs1
InChIInChI=1S/C15H24N4OS/c1-5-15-17-13(10-21-15)9-19-12(3)14(11(2)18-19)8-16-6-7-20-4/h10,16H,5-9H2,1-4H3
InChIKeyILTCSJRZJMZALS-UHFFFAOYSA-N
XLogP2.30
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.30
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-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine (CID 66401292) is N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine is CCc1nc(Cn2nc(C)c(CNCCOC)c2C)cs1.
What is the InChIKey of N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine?
The InChIKey is ILTCSJRZJMZALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-5-15-17-13(10-21-15)9-19-12(3)14(11(2)18-19)8-16-6-7-20-4/h10,16H,5-9H2,1-4H3.
What are the key properties of N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine?
N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine has a molecular weight of 308.45 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 66401292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).