2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine

C14H22N4OS — CID 62540863

IUPAC2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
SMILESCOCCNC(c1nc(C)cs1)c1c(C)nn(C)c1C
InChIInChI=1S/C14H22N4OS/c1-9-8-20-14(16-9)13(15-6-7-19-5)12-10(2)17-18(4)11(12)3/h8,13,15H,6-7H2,1-5H3
InChIKeyIGJZMJNJXBCHHD-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.13
Rot. Bonds6

About 2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine

2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine (PubChem CID 62540863) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
PubChem CID62540863
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
SMILESCOCCNC(c1nc(C)cs1)c1c(C)nn(C)c1C
InChIInChI=1S/C14H22N4OS/c1-9-8-20-14(16-9)13(15-6-7-19-5)12-10(2)17-18(4)11(12)3/h8,13,15H,6-7H2,1-5H3
InChIKeyIGJZMJNJXBCHHD-UHFFFAOYSA-N
XLogP2.13
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.13
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 2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine (CID 62540863) is 2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine is COCCNC(c1nc(C)cs1)c1c(C)nn(C)c1C.
What is the InChIKey of 2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is IGJZMJNJXBCHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-9-8-20-14(16-9)13(15-6-7-19-5)12-10(2)17-18(4)11(12)3/h8,13,15H,6-7H2,1-5H3.
What are the key properties of 2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 294.42 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 62540863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).