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

C17H27N3O2S — CID 95626559

IUPAC(2S)-2-acetamido-2-cyclopentyl-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
SMILESCC(=O)N[C@H](C(=O)N[C@H](C)c1csc(C(C)C)n1)C1CCCC1
InChIInChI=1S/C17H27N3O2S/c1-10(2)17-20-14(9-23-17)11(3)18-16(22)15(19-12(4)21)13-7-5-6-8-13/h9-11,13,15H,5-8H2,1-4H3,(H,18,22)(H,19,21)/t11-,15+/m1/s1
InChIKeyXXDIHBLVHFROGM-ABAIWWIYSA-N
MW337.49 g/mol
LogP3.14
Rot. Bonds6

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

(2S)-2-acetamido-2-cyclopentyl-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide (PubChem CID 95626559) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is (2S)-2-acetamido-2-cyclopentyl-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name(2S)-2-acetamido-2-cyclopentyl-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
PubChem CID95626559
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC Name(2S)-2-acetamido-2-cyclopentyl-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
SMILESCC(=O)N[C@H](C(=O)N[C@H](C)c1csc(C(C)C)n1)C1CCCC1
InChIInChI=1S/C17H27N3O2S/c1-10(2)17-20-14(9-23-17)11(3)18-16(22)15(19-12(4)21)13-7-5-6-8-13/h9-11,13,15H,5-8H2,1-4H3,(H,18,22)(H,19,21)/t11-,15+/m1/s1
InChIKeyXXDIHBLVHFROGM-ABAIWWIYSA-N
XLogP3.14
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-2-cyclopentyl-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide?
The IUPAC name of (2S)-2-acetamido-2-cyclopentyl-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide (CID 95626559) is (2S)-2-acetamido-2-cyclopentyl-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide.
What is the SMILES notation for (2S)-2-acetamido-2-cyclopentyl-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide?
The canonical SMILES for (2S)-2-acetamido-2-cyclopentyl-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide is CC(=O)N[C@H](C(=O)N[C@H](C)c1csc(C(C)C)n1)C1CCCC1.
What is the InChIKey of (2S)-2-acetamido-2-cyclopentyl-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide?
The InChIKey is XXDIHBLVHFROGM-ABAIWWIYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-10(2)17-20-14(9-23-17)11(3)18-16(22)15(19-12(4)21)13-7-5-6-8-13/h9-11,13,15H,5-8H2,1-4H3,(H,18,22)(H,19,21)/t11-,15+/m1/s1.
What are the key properties of (2S)-2-acetamido-2-cyclopentyl-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide?
(2S)-2-acetamido-2-cyclopentyl-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide has a molecular weight of 337.49 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-2-cyclopentyl-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 95626559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).