2-(2-methylpentanoylamino)-1,3-thiazole-5-carboxamide

C10H15N3O2S — CID 22262867

IUPAC2-(2-methylpentanoylamino)-1,3-thiazole-5-carboxamide
SMILESCCCC(C)C(=O)Nc1ncc(C(N)=O)s1
InChIInChI=1S/C10H15N3O2S/c1-3-4-6(2)9(15)13-10-12-5-7(16-10)8(11)14/h5-6H,3-4H2,1-2H3,(H2,11,14)(H,12,13,15)
InChIKeyODJBWKXIPCBSDG-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.62
Rot. Bonds5

About 2-(2-methylpentanoylamino)-1,3-thiazole-5-carboxamide

2-(2-methylpentanoylamino)-1,3-thiazole-5-carboxamide (PubChem CID 22262867) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 2-(2-methylpentanoylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-methylpentanoylamino)-1,3-thiazole-5-carboxamide
PubChem CID22262867
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name2-(2-methylpentanoylamino)-1,3-thiazole-5-carboxamide
SMILESCCCC(C)C(=O)Nc1ncc(C(N)=O)s1
InChIInChI=1S/C10H15N3O2S/c1-3-4-6(2)9(15)13-10-12-5-7(16-10)8(11)14/h5-6H,3-4H2,1-2H3,(H2,11,14)(H,12,13,15)
InChIKeyODJBWKXIPCBSDG-UHFFFAOYSA-N
XLogP1.62
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpentanoylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2-methylpentanoylamino)-1,3-thiazole-5-carboxamide (CID 22262867) is 2-(2-methylpentanoylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2-methylpentanoylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2-methylpentanoylamino)-1,3-thiazole-5-carboxamide is CCCC(C)C(=O)Nc1ncc(C(N)=O)s1.
What is the InChIKey of 2-(2-methylpentanoylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is ODJBWKXIPCBSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-3-4-6(2)9(15)13-10-12-5-7(16-10)8(11)14/h5-6H,3-4H2,1-2H3,(H2,11,14)(H,12,13,15).
What are the key properties of 2-(2-methylpentanoylamino)-1,3-thiazole-5-carboxamide?
2-(2-methylpentanoylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 241.32 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpentanoylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 22262867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).