2-(2-amino-1,3-thiazol-4-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide

C13H17N3O2S — CID 62799994

IUPAC2-(2-amino-1,3-thiazol-4-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide
SMILESCC(CCc1ccco1)NC(=O)Cc1csc(N)n1
InChIInChI=1S/C13H17N3O2S/c1-9(4-5-11-3-2-6-18-11)15-12(17)7-10-8-19-13(14)16-10/h2-3,6,8-9H,4-5,7H2,1H3,(H2,14,16)(H,15,17)
InChIKeyZKEQOPLHHURIPG-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.00
Rot. Bonds6

About 2-(2-amino-1,3-thiazol-4-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide

2-(2-amino-1,3-thiazol-4-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide (PubChem CID 62799994) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide
PubChem CID62799994
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide
SMILESCC(CCc1ccco1)NC(=O)Cc1csc(N)n1
InChIInChI=1S/C13H17N3O2S/c1-9(4-5-11-3-2-6-18-11)15-12(17)7-10-8-19-13(14)16-10/h2-3,6,8-9H,4-5,7H2,1H3,(H2,14,16)(H,15,17)
InChIKeyZKEQOPLHHURIPG-UHFFFAOYSA-N
XLogP2.00
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide (CID 62799994) is 2-(2-amino-1,3-thiazol-4-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide is CC(CCc1ccco1)NC(=O)Cc1csc(N)n1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide?
The InChIKey is ZKEQOPLHHURIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-9(4-5-11-3-2-6-18-11)15-12(17)7-10-8-19-13(14)16-10/h2-3,6,8-9H,4-5,7H2,1H3,(H2,14,16)(H,15,17).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide has a molecular weight of 279.37 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide is sourced from PubChem (CID 62799994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).