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

C14H22N2O3S — CID 95783265

IUPACN-[(2S)-2-cyclopentyl-2-hydroxypropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCc1csc(=O)n1CC(=O)NC[C@@](C)(O)C1CCCC1
InChIInChI=1S/C14H22N2O3S/c1-10-8-20-13(18)16(10)7-12(17)15-9-14(2,19)11-5-3-4-6-11/h8,11,19H,3-7,9H2,1-2H3,(H,15,17)/t14-/m1/s1
InChIKeySKMWJFNMPALNBY-CQSZACIVSA-N
MW298.41 g/mol
LogP1.28
Rot. Bonds5

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

N-[(2S)-2-cyclopentyl-2-hydroxypropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (PubChem CID 95783265) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[(2S)-2-cyclopentyl-2-hydroxypropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2S)-2-cyclopentyl-2-hydroxypropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
PubChem CID95783265
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-[(2S)-2-cyclopentyl-2-hydroxypropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCc1csc(=O)n1CC(=O)NC[C@@](C)(O)C1CCCC1
InChIInChI=1S/C14H22N2O3S/c1-10-8-20-13(18)16(10)7-12(17)15-9-14(2,19)11-5-3-4-6-11/h8,11,19H,3-7,9H2,1-2H3,(H,15,17)/t14-/m1/s1
InChIKeySKMWJFNMPALNBY-CQSZACIVSA-N
XLogP1.28
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyclopentyl-2-hydroxypropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The IUPAC name of N-[(2S)-2-cyclopentyl-2-hydroxypropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (CID 95783265) is N-[(2S)-2-cyclopentyl-2-hydroxypropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for N-[(2S)-2-cyclopentyl-2-hydroxypropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for N-[(2S)-2-cyclopentyl-2-hydroxypropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is Cc1csc(=O)n1CC(=O)NC[C@@](C)(O)C1CCCC1.
What is the InChIKey of N-[(2S)-2-cyclopentyl-2-hydroxypropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The InChIKey is SKMWJFNMPALNBY-CQSZACIVSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-10-8-20-13(18)16(10)7-12(17)15-9-14(2,19)11-5-3-4-6-11/h8,11,19H,3-7,9H2,1-2H3,(H,15,17)/t14-/m1/s1.
What are the key properties of N-[(2S)-2-cyclopentyl-2-hydroxypropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
N-[(2S)-2-cyclopentyl-2-hydroxypropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide has a molecular weight of 298.41 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-cyclopentyl-2-hydroxypropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 95783265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).