N-[(4-methylmorpholin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)acetamide

C15H21N5O2S — CID 154749160

IUPACN-[(4-methylmorpholin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESCN1CCOC(CN(C(=O)Cc2cnn(C)c2)c2nccs2)C1
InChIInChI=1S/C15H21N5O2S/c1-18-4-5-22-13(10-18)11-20(15-16-3-6-23-15)14(21)7-12-8-17-19(2)9-12/h3,6,8-9,13H,4-5,7,10-11H2,1-2H3
InChIKeyINRCYLUHLCDZMW-UHFFFAOYSA-N
MW335.43 g/mol
LogP0.78
Rot. Bonds5

About N-[(4-methylmorpholin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)acetamide

N-[(4-methylmorpholin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 154749160) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-[(4-methylmorpholin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(4-methylmorpholin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID154749160
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC NameN-[(4-methylmorpholin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESCN1CCOC(CN(C(=O)Cc2cnn(C)c2)c2nccs2)C1
InChIInChI=1S/C15H21N5O2S/c1-18-4-5-22-13(10-18)11-20(15-16-3-6-23-15)14(21)7-12-8-17-19(2)9-12/h3,6,8-9,13H,4-5,7,10-11H2,1-2H3
InChIKeyINRCYLUHLCDZMW-UHFFFAOYSA-N
XLogP0.78
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)acetamide (CID 154749160) is N-[(4-methylmorpholin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-[(4-methylmorpholin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-[(4-methylmorpholin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)acetamide is CN1CCOC(CN(C(=O)Cc2cnn(C)c2)c2nccs2)C1.
What is the InChIKey of N-[(4-methylmorpholin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is INRCYLUHLCDZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-18-4-5-22-13(10-18)11-20(15-16-3-6-23-15)14(21)7-12-8-17-19(2)9-12/h3,6,8-9,13H,4-5,7,10-11H2,1-2H3.
What are the key properties of N-[(4-methylmorpholin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)acetamide?
N-[(4-methylmorpholin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 335.43 g/mol, XLogP of 0.78, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylmorpholin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 154749160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).