N-methyl-2-(2-propan-2-ylimidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide

C12H16N4OS — CID 75500264

IUPACN-methyl-2-(2-propan-2-ylimidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESCC(C)c1nccn1CC(=O)N(C)c1nccs1
InChIInChI=1S/C12H16N4OS/c1-9(2)11-13-4-6-16(11)8-10(17)15(3)12-14-5-7-18-12/h4-7,9H,8H2,1-3H3
InChIKeyNQSPZKGNVVQYLZ-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.13
Rot. Bonds4

About N-methyl-2-(2-propan-2-ylimidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide

N-methyl-2-(2-propan-2-ylimidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 75500264) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is N-methyl-2-(2-propan-2-ylimidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(2-propan-2-ylimidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID75500264
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC NameN-methyl-2-(2-propan-2-ylimidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESCC(C)c1nccn1CC(=O)N(C)c1nccs1
InChIInChI=1S/C12H16N4OS/c1-9(2)11-13-4-6-16(11)8-10(17)15(3)12-14-5-7-18-12/h4-7,9H,8H2,1-3H3
InChIKeyNQSPZKGNVVQYLZ-UHFFFAOYSA-N
XLogP2.13
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-propan-2-ylimidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-methyl-2-(2-propan-2-ylimidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide (CID 75500264) is N-methyl-2-(2-propan-2-ylimidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-methyl-2-(2-propan-2-ylimidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-methyl-2-(2-propan-2-ylimidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide is CC(C)c1nccn1CC(=O)N(C)c1nccs1.
What is the InChIKey of N-methyl-2-(2-propan-2-ylimidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is NQSPZKGNVVQYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-9(2)11-13-4-6-16(11)8-10(17)15(3)12-14-5-7-18-12/h4-7,9H,8H2,1-3H3.
What are the key properties of N-methyl-2-(2-propan-2-ylimidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
N-methyl-2-(2-propan-2-ylimidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 264.35 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-propan-2-ylimidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 75500264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).