N-[(4-acetyl-1,3-thiazol-2-yl)methyl]acetamide

C8H10N2O2S — CID 10012967

IUPACN-[(4-acetyl-1,3-thiazol-2-yl)methyl]acetamide
SMILESCC(=O)NCc1nc(C(C)=O)cs1
InChIInChI=1S/C8H10N2O2S/c1-5(11)7-4-13-8(10-7)3-9-6(2)12/h4H,3H2,1-2H3,(H,9,12)
InChIKeyRCCDSMBUARLPPB-UHFFFAOYSA-N
MW198.25 g/mol
LogP0.98
Rot. Bonds3

About N-[(4-acetyl-1,3-thiazol-2-yl)methyl]acetamide

N-[(4-acetyl-1,3-thiazol-2-yl)methyl]acetamide (PubChem CID 10012967) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is N-[(4-acetyl-1,3-thiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(4-acetyl-1,3-thiazol-2-yl)methyl]acetamide
PubChem CID10012967
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC NameN-[(4-acetyl-1,3-thiazol-2-yl)methyl]acetamide
SMILESCC(=O)NCc1nc(C(C)=O)cs1
InChIInChI=1S/C8H10N2O2S/c1-5(11)7-4-13-8(10-7)3-9-6(2)12/h4H,3H2,1-2H3,(H,9,12)
InChIKeyRCCDSMBUARLPPB-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

Analyze N-[(4-acetyl-1,3-thiazol-2-yl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetyl-1,3-thiazol-2-yl)methyl]acetamide?
The IUPAC name of N-[(4-acetyl-1,3-thiazol-2-yl)methyl]acetamide (CID 10012967) is N-[(4-acetyl-1,3-thiazol-2-yl)methyl]acetamide.
What is the SMILES notation for N-[(4-acetyl-1,3-thiazol-2-yl)methyl]acetamide?
The canonical SMILES for N-[(4-acetyl-1,3-thiazol-2-yl)methyl]acetamide is CC(=O)NCc1nc(C(C)=O)cs1.
What is the InChIKey of N-[(4-acetyl-1,3-thiazol-2-yl)methyl]acetamide?
The InChIKey is RCCDSMBUARLPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c1-5(11)7-4-13-8(10-7)3-9-6(2)12/h4H,3H2,1-2H3,(H,9,12).
What are the key properties of N-[(4-acetyl-1,3-thiazol-2-yl)methyl]acetamide?
N-[(4-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-[(4-acetyl-1,3-thiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 10012967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).