N-[(4-methylmorpholin-2-yl)methyl]-2-(6-methyl-3-pyridinyl)-N-(1,3-thiazol-2-yl)acetamide

C17H22N4O2S — CID 75422450

IUPACN-[(4-methylmorpholin-2-yl)methyl]-2-(6-methyl-3-pyridinyl)-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1ccc(CC(=O)N(CC2CN(C)CCO2)c2nccs2)cn1
InChIInChI=1S/C17H22N4O2S/c1-13-3-4-14(10-19-13)9-16(22)21(17-18-5-8-24-17)12-15-11-20(2)6-7-23-15/h3-5,8,10,15H,6-7,9,11-12H2,1-2H3
InChIKeyRDKZHCFLUXQZMW-UHFFFAOYSA-N
MW346.46 g/mol
LogP1.75
Rot. Bonds5

About N-[(4-methylmorpholin-2-yl)methyl]-2-(6-methyl-3-pyridinyl)-N-(1,3-thiazol-2-yl)acetamide

N-[(4-methylmorpholin-2-yl)methyl]-2-(6-methyl-3-pyridinyl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 75422450) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is N-[(4-methylmorpholin-2-yl)methyl]-2-(6-methyl-3-pyridinyl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(4-methylmorpholin-2-yl)methyl]-2-(6-methyl-3-pyridinyl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID75422450
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC NameN-[(4-methylmorpholin-2-yl)methyl]-2-(6-methyl-3-pyridinyl)-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1ccc(CC(=O)N(CC2CN(C)CCO2)c2nccs2)cn1
InChIInChI=1S/C17H22N4O2S/c1-13-3-4-14(10-19-13)9-16(22)21(17-18-5-8-24-17)12-15-11-20(2)6-7-23-15/h3-5,8,10,15H,6-7,9,11-12H2,1-2H3
InChIKeyRDKZHCFLUXQZMW-UHFFFAOYSA-N
XLogP1.75
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-2-(6-methyl-3-pyridinyl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-2-(6-methyl-3-pyridinyl)-N-(1,3-thiazol-2-yl)acetamide (CID 75422450) is N-[(4-methylmorpholin-2-yl)methyl]-2-(6-methyl-3-pyridinyl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-[(4-methylmorpholin-2-yl)methyl]-2-(6-methyl-3-pyridinyl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-[(4-methylmorpholin-2-yl)methyl]-2-(6-methyl-3-pyridinyl)-N-(1,3-thiazol-2-yl)acetamide is Cc1ccc(CC(=O)N(CC2CN(C)CCO2)c2nccs2)cn1.
What is the InChIKey of N-[(4-methylmorpholin-2-yl)methyl]-2-(6-methyl-3-pyridinyl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is RDKZHCFLUXQZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-13-3-4-14(10-19-13)9-16(22)21(17-18-5-8-24-17)12-15-11-20(2)6-7-23-15/h3-5,8,10,15H,6-7,9,11-12H2,1-2H3.
What are the key properties of N-[(4-methylmorpholin-2-yl)methyl]-2-(6-methyl-3-pyridinyl)-N-(1,3-thiazol-2-yl)acetamide?
N-[(4-methylmorpholin-2-yl)methyl]-2-(6-methyl-3-pyridinyl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 346.46 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylmorpholin-2-yl)methyl]-2-(6-methyl-3-pyridinyl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 75422450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).