2-[(2S)-4-propan-2-ylmorpholin-2-yl]-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]acetamide

C17H29N3O2S — CID 125172985

IUPAC2-[(2S)-4-propan-2-ylmorpholin-2-yl]-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
SMILESCC(C)c1csc(CCNC(=O)C[C@H]2CN(C(C)C)CCO2)n1
InChIInChI=1S/C17H29N3O2S/c1-12(2)15-11-23-17(19-15)5-6-18-16(21)9-14-10-20(13(3)4)7-8-22-14/h11-14H,5-10H2,1-4H3,(H,18,21)/t14-/m0/s1
InChIKeyYYMVSJFUTFMTMV-AWEZNQCLSA-N
MW339.51 g/mol
LogP2.42
Rot. Bonds7

About 2-[(2S)-4-propan-2-ylmorpholin-2-yl]-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]acetamide

2-[(2S)-4-propan-2-ylmorpholin-2-yl]-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]acetamide (PubChem CID 125172985) has the molecular formula C17H29N3O2S and a molecular weight of 339.51 g/mol. Its IUPAC name is 2-[(2S)-4-propan-2-ylmorpholin-2-yl]-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(2S)-4-propan-2-ylmorpholin-2-yl]-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
PubChem CID125172985
Molecular FormulaC17H29N3O2S
Molecular Weight339.51 g/mol
Exact Mass339.20
IUPAC Name2-[(2S)-4-propan-2-ylmorpholin-2-yl]-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
SMILESCC(C)c1csc(CCNC(=O)C[C@H]2CN(C(C)C)CCO2)n1
InChIInChI=1S/C17H29N3O2S/c1-12(2)15-11-23-17(19-15)5-6-18-16(21)9-14-10-20(13(3)4)7-8-22-14/h11-14H,5-10H2,1-4H3,(H,18,21)/t14-/m0/s1
InChIKeyYYMVSJFUTFMTMV-AWEZNQCLSA-N
XLogP2.42
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.51
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-propan-2-ylmorpholin-2-yl]-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-[(2S)-4-propan-2-ylmorpholin-2-yl]-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]acetamide (CID 125172985) is 2-[(2S)-4-propan-2-ylmorpholin-2-yl]-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(2S)-4-propan-2-ylmorpholin-2-yl]-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[(2S)-4-propan-2-ylmorpholin-2-yl]-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]acetamide is CC(C)c1csc(CCNC(=O)C[C@H]2CN(C(C)C)CCO2)n1.
What is the InChIKey of 2-[(2S)-4-propan-2-ylmorpholin-2-yl]-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]acetamide?
The InChIKey is YYMVSJFUTFMTMV-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H29N3O2S/c1-12(2)15-11-23-17(19-15)5-6-18-16(21)9-14-10-20(13(3)4)7-8-22-14/h11-14H,5-10H2,1-4H3,(H,18,21)/t14-/m0/s1.
What are the key properties of 2-[(2S)-4-propan-2-ylmorpholin-2-yl]-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]acetamide?
2-[(2S)-4-propan-2-ylmorpholin-2-yl]-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]acetamide has a molecular weight of 339.51 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-propan-2-ylmorpholin-2-yl]-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 125172985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).