N-[(4-tert-butyl-1,3-thiazol-2-yl)-(1-methylpyrazol-4-yl)methyl]-2-methoxyethanamine

C15H24N4OS — CID 62544279

IUPACN-[(4-tert-butyl-1,3-thiazol-2-yl)-(1-methylpyrazol-4-yl)methyl]-2-methoxyethanamine
SMILESCOCCNC(c1cnn(C)c1)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C15H24N4OS/c1-15(2,3)12-10-21-14(18-12)13(16-6-7-20-5)11-8-17-19(4)9-11/h8-10,13,16H,6-7H2,1-5H3
InChIKeyUVZCADKWAXKCLD-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.50
Rot. Bonds6

About N-[(4-tert-butyl-1,3-thiazol-2-yl)-(1-methylpyrazol-4-yl)methyl]-2-methoxyethanamine

N-[(4-tert-butyl-1,3-thiazol-2-yl)-(1-methylpyrazol-4-yl)methyl]-2-methoxyethanamine (PubChem CID 62544279) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is N-[(4-tert-butyl-1,3-thiazol-2-yl)-(1-methylpyrazol-4-yl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(4-tert-butyl-1,3-thiazol-2-yl)-(1-methylpyrazol-4-yl)methyl]-2-methoxyethanamine
PubChem CID62544279
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC NameN-[(4-tert-butyl-1,3-thiazol-2-yl)-(1-methylpyrazol-4-yl)methyl]-2-methoxyethanamine
SMILESCOCCNC(c1cnn(C)c1)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C15H24N4OS/c1-15(2,3)12-10-21-14(18-12)13(16-6-7-20-5)11-8-17-19(4)9-11/h8-10,13,16H,6-7H2,1-5H3
InChIKeyUVZCADKWAXKCLD-UHFFFAOYSA-N
XLogP2.50
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.50
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-[(4-tert-butyl-1,3-thiazol-2-yl)-(1-methylpyrazol-4-yl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(4-tert-butyl-1,3-thiazol-2-yl)-(1-methylpyrazol-4-yl)methyl]-2-methoxyethanamine (CID 62544279) is N-[(4-tert-butyl-1,3-thiazol-2-yl)-(1-methylpyrazol-4-yl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(4-tert-butyl-1,3-thiazol-2-yl)-(1-methylpyrazol-4-yl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(4-tert-butyl-1,3-thiazol-2-yl)-(1-methylpyrazol-4-yl)methyl]-2-methoxyethanamine is COCCNC(c1cnn(C)c1)c1nc(C(C)(C)C)cs1.
What is the InChIKey of N-[(4-tert-butyl-1,3-thiazol-2-yl)-(1-methylpyrazol-4-yl)methyl]-2-methoxyethanamine?
The InChIKey is UVZCADKWAXKCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-15(2,3)12-10-21-14(18-12)13(16-6-7-20-5)11-8-17-19(4)9-11/h8-10,13,16H,6-7H2,1-5H3.
What are the key properties of N-[(4-tert-butyl-1,3-thiazol-2-yl)-(1-methylpyrazol-4-yl)methyl]-2-methoxyethanamine?
N-[(4-tert-butyl-1,3-thiazol-2-yl)-(1-methylpyrazol-4-yl)methyl]-2-methoxyethanamine has a molecular weight of 308.45 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butyl-1,3-thiazol-2-yl)-(1-methylpyrazol-4-yl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 62544279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).