2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pyrimidin-2-ylacetamide

C11H12N4OS — CID 110678645

IUPAC2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pyrimidin-2-ylacetamide
SMILESCc1nc(C)c(CC(=O)Nc2ncccn2)s1
InChIInChI=1S/C11H12N4OS/c1-7-9(17-8(2)14-7)6-10(16)15-11-12-4-3-5-13-11/h3-5H,6H2,1-2H3,(H,12,13,15,16)
InChIKeyRNSPGVIBRDHAMW-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.73
Rot. Bonds3

About 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pyrimidin-2-ylacetamide

2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pyrimidin-2-ylacetamide (PubChem CID 110678645) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pyrimidin-2-ylacetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pyrimidin-2-ylacetamide
PubChem CID110678645
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pyrimidin-2-ylacetamide
SMILESCc1nc(C)c(CC(=O)Nc2ncccn2)s1
InChIInChI=1S/C11H12N4OS/c1-7-9(17-8(2)14-7)6-10(16)15-11-12-4-3-5-13-11/h3-5H,6H2,1-2H3,(H,12,13,15,16)
InChIKeyRNSPGVIBRDHAMW-UHFFFAOYSA-N
XLogP1.73
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pyrimidin-2-ylacetamide?
The IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pyrimidin-2-ylacetamide (CID 110678645) is 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pyrimidin-2-ylacetamide.
What is the SMILES notation for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pyrimidin-2-ylacetamide?
The canonical SMILES for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pyrimidin-2-ylacetamide is Cc1nc(C)c(CC(=O)Nc2ncccn2)s1.
What is the InChIKey of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pyrimidin-2-ylacetamide?
The InChIKey is RNSPGVIBRDHAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-7-9(17-8(2)14-7)6-10(16)15-11-12-4-3-5-13-11/h3-5H,6H2,1-2H3,(H,12,13,15,16).
What are the key properties of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pyrimidin-2-ylacetamide?
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pyrimidin-2-ylacetamide has a molecular weight of 248.31 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pyrimidin-2-ylacetamide is sourced from PubChem (CID 110678645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).