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

C16H25N3O2S — CID 97217264

IUPAC2-cyclopentyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCN1CCO[C@H](CN(C(=O)CC2CCCC2)c2nccs2)C1
InChIInChI=1S/C16H25N3O2S/c1-18-7-8-21-14(11-18)12-19(16-17-6-9-22-16)15(20)10-13-4-2-3-5-13/h6,9,13-14H,2-5,7-8,10-12H2,1H3/t14-/m0/s1
InChIKeyRASIFAMIMPWUAT-AWEZNQCLSA-N
MW323.46 g/mol
LogP2.39
Rot. Bonds5

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

2-cyclopentyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 97217264) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is 2-cyclopentyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID97217264
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Name2-cyclopentyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCN1CCO[C@H](CN(C(=O)CC2CCCC2)c2nccs2)C1
InChIInChI=1S/C16H25N3O2S/c1-18-7-8-21-14(11-18)12-19(16-17-6-9-22-16)15(20)10-13-4-2-3-5-13/h6,9,13-14H,2-5,7-8,10-12H2,1H3/t14-/m0/s1
InChIKeyRASIFAMIMPWUAT-AWEZNQCLSA-N
XLogP2.39
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2S)-4-methylmorpholin-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 97062168
3-ethoxy-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)propanamide
CID 97217221
N-[(4-methylmorpholin-2-yl)methyl]-2-(4-methylphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 75373711
N-[(4-methylmorpholin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 154749160
N-[(4-methylmorpholin-2-yl)methyl]-4-pyrazol-1-yl-N-(1,3-thiazol-2-yl)butanamide
CID 71929003
N-[[(2R)-4-methylmorpholin-2-yl]methyl]-2-(3-methylphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 97072251
2-(3-fluorophenyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)acetamide
CID 97217269
1-benzyl-3-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-(1,3-thiazol-2-ylmethyl)urea
CID 125436994
N,N-dimethyl-2-(4-methylmorpholin-2-yl)acetamide
CID 143368869
N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 129335888
3-cyclobutyl-N-(cyclopropylmethyl)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]propanamide
CID 129331809
N-[(4-methylmorpholin-2-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine
CID 79171502

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-cyclopentyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)acetamide (CID 97217264) is 2-cyclopentyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-cyclopentyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)acetamide is CN1CCO[C@H](CN(C(=O)CC2CCCC2)c2nccs2)C1.
What is the InChIKey of 2-cyclopentyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is RASIFAMIMPWUAT-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-18-7-8-21-14(11-18)12-19(16-17-6-9-22-16)15(20)10-13-4-2-3-5-13/h6,9,13-14H,2-5,7-8,10-12H2,1H3/t14-/m0/s1.
What are the key properties of 2-cyclopentyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)acetamide?
2-cyclopentyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 323.46 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 97217264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).