2-(6-aminohexanoyl)-1,3-thiazole-4-carboxamide

C10H15N3O2S — CID 18788247

IUPAC2-(6-aminohexanoyl)-1,3-thiazole-4-carboxamide
SMILESNCCCCCC(=O)c1nc(C(N)=O)cs1
InChIInChI=1S/C10H15N3O2S/c11-5-3-1-2-4-8(14)10-13-7(6-16-10)9(12)15/h6H,1-5,11H2,(H2,12,15)
InChIKeyYGSJQOSVFXQYIV-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.94
Rot. Bonds7

About 2-(6-aminohexanoyl)-1,3-thiazole-4-carboxamide

2-(6-aminohexanoyl)-1,3-thiazole-4-carboxamide (PubChem CID 18788247) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 2-(6-aminohexanoyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(6-aminohexanoyl)-1,3-thiazole-4-carboxamide
PubChem CID18788247
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name2-(6-aminohexanoyl)-1,3-thiazole-4-carboxamide
SMILESNCCCCCC(=O)c1nc(C(N)=O)cs1
InChIInChI=1S/C10H15N3O2S/c11-5-3-1-2-4-8(14)10-13-7(6-16-10)9(12)15/h6H,1-5,11H2,(H2,12,15)
InChIKeyYGSJQOSVFXQYIV-UHFFFAOYSA-N
XLogP0.94
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.94
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 2-(6-aminohexanoyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(6-aminohexanoyl)-1,3-thiazole-4-carboxamide (CID 18788247) is 2-(6-aminohexanoyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(6-aminohexanoyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(6-aminohexanoyl)-1,3-thiazole-4-carboxamide is NCCCCCC(=O)c1nc(C(N)=O)cs1.
What is the InChIKey of 2-(6-aminohexanoyl)-1,3-thiazole-4-carboxamide?
The InChIKey is YGSJQOSVFXQYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c11-5-3-1-2-4-8(14)10-13-7(6-16-10)9(12)15/h6H,1-5,11H2,(H2,12,15).
What are the key properties of 2-(6-aminohexanoyl)-1,3-thiazole-4-carboxamide?
2-(6-aminohexanoyl)-1,3-thiazole-4-carboxamide has a molecular weight of 241.32 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminohexanoyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 18788247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).