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

C12H18N4OS — CID 46994636

IUPAC2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)ethanamine
SMILESCOCCN(Cc1cnn(C)c1)Cc1nccs1
InChIInChI=1S/C12H18N4OS/c1-15-8-11(7-14-15)9-16(4-5-17-2)10-12-13-3-6-18-12/h3,6-8H,4-5,9-10H2,1-2H3
InChIKeyPYEAWCVDKIFXRH-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.53
Rot. Bonds7

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

2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)ethanamine (PubChem CID 46994636) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)ethanamine
PubChem CID46994636
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)ethanamine
SMILESCOCCN(Cc1cnn(C)c1)Cc1nccs1
InChIInChI=1S/C12H18N4OS/c1-15-8-11(7-14-15)9-16(4-5-17-2)10-12-13-3-6-18-12/h3,6-8H,4-5,9-10H2,1-2H3
InChIKeyPYEAWCVDKIFXRH-UHFFFAOYSA-N
XLogP1.53
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The IUPAC name of 2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)ethanamine (CID 46994636) is 2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The canonical SMILES for 2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)ethanamine is COCCN(Cc1cnn(C)c1)Cc1nccs1.
What is the InChIKey of 2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The InChIKey is PYEAWCVDKIFXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-15-8-11(7-14-15)9-16(4-5-17-2)10-12-13-3-6-18-12/h3,6-8H,4-5,9-10H2,1-2H3.
What are the key properties of 2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)ethanamine?
2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)ethanamine has a molecular weight of 266.37 g/mol, XLogP of 1.53, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)ethanamine is sourced from PubChem (CID 46994636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).