N-[(5-acetyl-1,3-thiazol-2-yl)methyl]acetamide

C8H10N2O2S — CID 10241840

IUPACN-[(5-acetyl-1,3-thiazol-2-yl)methyl]acetamide
SMILESCC(=O)NCc1ncc(C(C)=O)s1
InChIInChI=1S/C8H10N2O2S/c1-5(11)7-3-10-8(13-7)4-9-6(2)12/h3H,4H2,1-2H3,(H,9,12)
InChIKeyXDCYFJNKWRZSDR-UHFFFAOYSA-N
MW198.25 g/mol
LogP0.98
Rot. Bonds3

About N-[(5-acetyl-1,3-thiazol-2-yl)methyl]acetamide

N-[(5-acetyl-1,3-thiazol-2-yl)methyl]acetamide (PubChem CID 10241840) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is N-[(5-acetyl-1,3-thiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(5-acetyl-1,3-thiazol-2-yl)methyl]acetamide
PubChem CID10241840
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC NameN-[(5-acetyl-1,3-thiazol-2-yl)methyl]acetamide
SMILESCC(=O)NCc1ncc(C(C)=O)s1
InChIInChI=1S/C8H10N2O2S/c1-5(11)7-3-10-8(13-7)4-9-6(2)12/h3H,4H2,1-2H3,(H,9,12)
InChIKeyXDCYFJNKWRZSDR-UHFFFAOYSA-N
XLogP0.98
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-acetyl-1,3-thiazol-2-yl)methyl]acetamide?
The IUPAC name of N-[(5-acetyl-1,3-thiazol-2-yl)methyl]acetamide (CID 10241840) is N-[(5-acetyl-1,3-thiazol-2-yl)methyl]acetamide.
What is the SMILES notation for N-[(5-acetyl-1,3-thiazol-2-yl)methyl]acetamide?
The canonical SMILES for N-[(5-acetyl-1,3-thiazol-2-yl)methyl]acetamide is CC(=O)NCc1ncc(C(C)=O)s1.
What is the InChIKey of N-[(5-acetyl-1,3-thiazol-2-yl)methyl]acetamide?
The InChIKey is XDCYFJNKWRZSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c1-5(11)7-3-10-8(13-7)4-9-6(2)12/h3H,4H2,1-2H3,(H,9,12).
What are the key properties of N-[(5-acetyl-1,3-thiazol-2-yl)methyl]acetamide?
N-[(5-acetyl-1,3-thiazol-2-yl)methyl]acetamide has a molecular weight of 198.25 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-acetyl-1,3-thiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 10241840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).