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

C18H23N3O2S — CID 97072251

IUPACN-[[(2R)-4-methylmorpholin-2-yl]methyl]-2-(3-methylphenyl)-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1cccc(CC(=O)N(C[C@H]2CN(C)CCO2)c2nccs2)c1
InChIInChI=1S/C18H23N3O2S/c1-14-4-3-5-15(10-14)11-17(22)21(18-19-6-9-24-18)13-16-12-20(2)7-8-23-16/h3-6,9-10,16H,7-8,11-13H2,1-2H3/t16-/m1/s1
InChIKeyXHBYPZMYHBXBJX-MRXNPFEDSA-N
MW345.47 g/mol
LogP2.36
Rot. Bonds5

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

N-[[(2R)-4-methylmorpholin-2-yl]methyl]-2-(3-methylphenyl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 97072251) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[[(2R)-4-methylmorpholin-2-yl]methyl]-2-(3-methylphenyl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[[(2R)-4-methylmorpholin-2-yl]methyl]-2-(3-methylphenyl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID97072251
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-[[(2R)-4-methylmorpholin-2-yl]methyl]-2-(3-methylphenyl)-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1cccc(CC(=O)N(C[C@H]2CN(C)CCO2)c2nccs2)c1
InChIInChI=1S/C18H23N3O2S/c1-14-4-3-5-15(10-14)11-17(22)21(18-19-6-9-24-18)13-16-12-20(2)7-8-23-16/h3-6,9-10,16H,7-8,11-13H2,1-2H3/t16-/m1/s1
InChIKeyXHBYPZMYHBXBJX-MRXNPFEDSA-N
XLogP2.36
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-4-methylmorpholin-2-yl]methyl]-2-(3-methylphenyl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-[[(2R)-4-methylmorpholin-2-yl]methyl]-2-(3-methylphenyl)-N-(1,3-thiazol-2-yl)acetamide (CID 97072251) is N-[[(2R)-4-methylmorpholin-2-yl]methyl]-2-(3-methylphenyl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-[[(2R)-4-methylmorpholin-2-yl]methyl]-2-(3-methylphenyl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-[[(2R)-4-methylmorpholin-2-yl]methyl]-2-(3-methylphenyl)-N-(1,3-thiazol-2-yl)acetamide is Cc1cccc(CC(=O)N(C[C@H]2CN(C)CCO2)c2nccs2)c1.
What is the InChIKey of N-[[(2R)-4-methylmorpholin-2-yl]methyl]-2-(3-methylphenyl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is XHBYPZMYHBXBJX-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-14-4-3-5-15(10-14)11-17(22)21(18-19-6-9-24-18)13-16-12-20(2)7-8-23-16/h3-6,9-10,16H,7-8,11-13H2,1-2H3/t16-/m1/s1.
What are the key properties of N-[[(2R)-4-methylmorpholin-2-yl]methyl]-2-(3-methylphenyl)-N-(1,3-thiazol-2-yl)acetamide?
N-[[(2R)-4-methylmorpholin-2-yl]methyl]-2-(3-methylphenyl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 345.47 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-4-methylmorpholin-2-yl]methyl]-2-(3-methylphenyl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 97072251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).