N-[6-amino-1-oxo-1-(1,3-thiazol-2-yl)hexan-2-yl]cyclopentanecarboxamide

C15H23N3O2S — CID 121266148

IUPACN-[6-amino-1-oxo-1-(1,3-thiazol-2-yl)hexan-2-yl]cyclopentanecarboxamide
SMILESNCCCCC(NC(=O)C1CCCC1)C(=O)c1nccs1
InChIInChI=1S/C15H23N3O2S/c16-8-4-3-7-12(13(19)15-17-9-10-21-15)18-14(20)11-5-1-2-6-11/h9-12H,1-8,16H2,(H,18,20)
InChIKeyLINJWDQYDVHDDC-UHFFFAOYSA-N
MW309.44 g/mol
LogP2.13
Rot. Bonds8

About N-[6-amino-1-oxo-1-(1,3-thiazol-2-yl)hexan-2-yl]cyclopentanecarboxamide

N-[6-amino-1-oxo-1-(1,3-thiazol-2-yl)hexan-2-yl]cyclopentanecarboxamide (PubChem CID 121266148) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is N-[6-amino-1-oxo-1-(1,3-thiazol-2-yl)hexan-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[6-amino-1-oxo-1-(1,3-thiazol-2-yl)hexan-2-yl]cyclopentanecarboxamide
PubChem CID121266148
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC NameN-[6-amino-1-oxo-1-(1,3-thiazol-2-yl)hexan-2-yl]cyclopentanecarboxamide
SMILESNCCCCC(NC(=O)C1CCCC1)C(=O)c1nccs1
InChIInChI=1S/C15H23N3O2S/c16-8-4-3-7-12(13(19)15-17-9-10-21-15)18-14(20)11-5-1-2-6-11/h9-12H,1-8,16H2,(H,18,20)
InChIKeyLINJWDQYDVHDDC-UHFFFAOYSA-N
XLogP2.13
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-oxo-1-(1,3-thiazol-2-yl)hexan-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[6-amino-1-oxo-1-(1,3-thiazol-2-yl)hexan-2-yl]cyclopentanecarboxamide (CID 121266148) is N-[6-amino-1-oxo-1-(1,3-thiazol-2-yl)hexan-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[6-amino-1-oxo-1-(1,3-thiazol-2-yl)hexan-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[6-amino-1-oxo-1-(1,3-thiazol-2-yl)hexan-2-yl]cyclopentanecarboxamide is NCCCCC(NC(=O)C1CCCC1)C(=O)c1nccs1.
What is the InChIKey of N-[6-amino-1-oxo-1-(1,3-thiazol-2-yl)hexan-2-yl]cyclopentanecarboxamide?
The InChIKey is LINJWDQYDVHDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c16-8-4-3-7-12(13(19)15-17-9-10-21-15)18-14(20)11-5-1-2-6-11/h9-12H,1-8,16H2,(H,18,20).
What are the key properties of N-[6-amino-1-oxo-1-(1,3-thiazol-2-yl)hexan-2-yl]cyclopentanecarboxamide?
N-[6-amino-1-oxo-1-(1,3-thiazol-2-yl)hexan-2-yl]cyclopentanecarboxamide has a molecular weight of 309.44 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-oxo-1-(1,3-thiazol-2-yl)hexan-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 121266148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).