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

C15H21N5O2S — CID 75373722

IUPACN-[(4-methylmorpholin-2-yl)methyl]-2-(4-methylpyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1cnn(CC(=O)N(CC2CN(C)CCO2)c2nccs2)c1
InChIInChI=1S/C15H21N5O2S/c1-12-7-17-19(8-12)11-14(21)20(15-16-3-6-23-15)10-13-9-18(2)4-5-22-13/h3,6-8,13H,4-5,9-11H2,1-2H3
InChIKeyGUJKKRLRPCZUQQ-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.01
Rot. Bonds5

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

N-[(4-methylmorpholin-2-yl)methyl]-2-(4-methylpyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 75373722) 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-(4-methylpyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(4-methylmorpholin-2-yl)methyl]-2-(4-methylpyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID75373722
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC NameN-[(4-methylmorpholin-2-yl)methyl]-2-(4-methylpyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1cnn(CC(=O)N(CC2CN(C)CCO2)c2nccs2)c1
InChIInChI=1S/C15H21N5O2S/c1-12-7-17-19(8-12)11-14(21)20(15-16-3-6-23-15)10-13-9-18(2)4-5-22-13/h3,6-8,13H,4-5,9-11H2,1-2H3
InChIKeyGUJKKRLRPCZUQQ-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
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-(4-methylpyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-2-(4-methylpyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide (CID 75373722) is N-[(4-methylmorpholin-2-yl)methyl]-2-(4-methylpyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-[(4-methylmorpholin-2-yl)methyl]-2-(4-methylpyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-[(4-methylmorpholin-2-yl)methyl]-2-(4-methylpyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide is Cc1cnn(CC(=O)N(CC2CN(C)CCO2)c2nccs2)c1.
What is the InChIKey of N-[(4-methylmorpholin-2-yl)methyl]-2-(4-methylpyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is GUJKKRLRPCZUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-12-7-17-19(8-12)11-14(21)20(15-16-3-6-23-15)10-13-9-18(2)4-5-22-13/h3,6-8,13H,4-5,9-11H2,1-2H3.
What are the key properties of N-[(4-methylmorpholin-2-yl)methyl]-2-(4-methylpyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
N-[(4-methylmorpholin-2-yl)methyl]-2-(4-methylpyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 335.43 g/mol, XLogP of 1.01, 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-(4-methylpyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 75373722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).