2-cyclopentyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]acetamide

C13H20N2OS — CID 99630331

IUPAC2-cyclopentyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]acetamide
SMILESCC[C@H](NC(=O)CC1CCCC1)c1nccs1
InChIInChI=1S/C13H20N2OS/c1-2-11(13-14-7-8-17-13)15-12(16)9-10-5-3-4-6-10/h7-8,10-11H,2-6,9H2,1H3,(H,15,16)/t11-/m0/s1
InChIKeyAJXCRUDCHJONSJ-NSHDSACASA-N
MW252.38 g/mol
LogP3.29
Rot. Bonds5

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

2-cyclopentyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]acetamide (PubChem CID 99630331) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-cyclopentyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]acetamide
PubChem CID99630331
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name2-cyclopentyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]acetamide
SMILESCC[C@H](NC(=O)CC1CCCC1)c1nccs1
InChIInChI=1S/C13H20N2OS/c1-2-11(13-14-7-8-17-13)15-12(16)9-10-5-3-4-6-10/h7-8,10-11H,2-6,9H2,1H3,(H,15,16)/t11-/m0/s1
InChIKeyAJXCRUDCHJONSJ-NSHDSACASA-N
XLogP3.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]acetamide (CID 99630331) is 2-cyclopentyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]acetamide is CC[C@H](NC(=O)CC1CCCC1)c1nccs1.
What is the InChIKey of 2-cyclopentyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]acetamide?
The InChIKey is AJXCRUDCHJONSJ-NSHDSACASA-N. The full InChI is InChI=1S/C13H20N2OS/c1-2-11(13-14-7-8-17-13)15-12(16)9-10-5-3-4-6-10/h7-8,10-11H,2-6,9H2,1H3,(H,15,16)/t11-/m0/s1.
What are the key properties of 2-cyclopentyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]acetamide?
2-cyclopentyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]acetamide has a molecular weight of 252.38 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]acetamide is sourced from PubChem (CID 99630331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).