2-[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetamide

C11H11FN4O2S2 — CID 87552491

IUPAC2-[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetamide
SMILESNC(=O)Cc1csc(NC(=O)NCc2ccc(F)s2)n1
InChIInChI=1S/C11H11FN4O2S2/c12-8-2-1-7(20-8)4-14-10(18)16-11-15-6(5-19-11)3-9(13)17/h1-2,5H,3-4H2,(H2,13,17)(H2,14,15,16,18)
InChIKeyZHCWKGWYYJHSOG-UHFFFAOYSA-N
MW314.37 g/mol
LogP1.69
Rot. Bonds5

About 2-[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetamide

2-[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetamide (PubChem CID 87552491) has the molecular formula C11H11FN4O2S2 and a molecular weight of 314.37 g/mol. Its IUPAC name is 2-[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound Name2-[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetamide
PubChem CID87552491
Molecular FormulaC11H11FN4O2S2
Molecular Weight314.37 g/mol
Exact Mass314.03
IUPAC Name2-[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetamide
SMILESNC(=O)Cc1csc(NC(=O)NCc2ccc(F)s2)n1
InChIInChI=1S/C11H11FN4O2S2/c12-8-2-1-7(20-8)4-14-10(18)16-11-15-6(5-19-11)3-9(13)17/h1-2,5H,3-4H2,(H2,13,17)(H2,14,15,16,18)
InChIKeyZHCWKGWYYJHSOG-UHFFFAOYSA-N
XLogP1.69
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of 2-[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetamide (CID 87552491) is 2-[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for 2-[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for 2-[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetamide is NC(=O)Cc1csc(NC(=O)NCc2ccc(F)s2)n1.
What is the InChIKey of 2-[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetamide?
The InChIKey is ZHCWKGWYYJHSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O2S2/c12-8-2-1-7(20-8)4-14-10(18)16-11-15-6(5-19-11)3-9(13)17/h1-2,5H,3-4H2,(H2,13,17)(H2,14,15,16,18).
What are the key properties of 2-[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetamide?
2-[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetamide has a molecular weight of 314.37 g/mol, XLogP of 1.69, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 87552491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).