1-[3-methyl-5-[(1-propan-2-ylpyrazol-4-yl)amino]-1,2-thiazol-4-yl]ethanone

C12H16N4OS — CID 79363948

IUPAC1-[3-methyl-5-[(1-propan-2-ylpyrazol-4-yl)amino]-1,2-thiazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nsc1Nc1cnn(C(C)C)c1
InChIInChI=1S/C12H16N4OS/c1-7(2)16-6-10(5-13-16)14-12-11(9(4)17)8(3)15-18-12/h5-7,14H,1-4H3
InChIKeyQWJWDBAOZPKJCF-UHFFFAOYSA-N
MW264.35 g/mol
LogP3.18
Rot. Bonds4

About 1-[3-methyl-5-[(1-propan-2-ylpyrazol-4-yl)amino]-1,2-thiazol-4-yl]ethanone

1-[3-methyl-5-[(1-propan-2-ylpyrazol-4-yl)amino]-1,2-thiazol-4-yl]ethanone (PubChem CID 79363948) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 1-[3-methyl-5-[(1-propan-2-ylpyrazol-4-yl)amino]-1,2-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[3-methyl-5-[(1-propan-2-ylpyrazol-4-yl)amino]-1,2-thiazol-4-yl]ethanone
PubChem CID79363948
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name1-[3-methyl-5-[(1-propan-2-ylpyrazol-4-yl)amino]-1,2-thiazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nsc1Nc1cnn(C(C)C)c1
InChIInChI=1S/C12H16N4OS/c1-7(2)16-6-10(5-13-16)14-12-11(9(4)17)8(3)15-18-12/h5-7,14H,1-4H3
InChIKeyQWJWDBAOZPKJCF-UHFFFAOYSA-N
XLogP3.18
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-5-[(1-propan-2-ylpyrazol-4-yl)amino]-1,2-thiazol-4-yl]ethanone?
The IUPAC name of 1-[3-methyl-5-[(1-propan-2-ylpyrazol-4-yl)amino]-1,2-thiazol-4-yl]ethanone (CID 79363948) is 1-[3-methyl-5-[(1-propan-2-ylpyrazol-4-yl)amino]-1,2-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[3-methyl-5-[(1-propan-2-ylpyrazol-4-yl)amino]-1,2-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[3-methyl-5-[(1-propan-2-ylpyrazol-4-yl)amino]-1,2-thiazol-4-yl]ethanone is CC(=O)c1c(C)nsc1Nc1cnn(C(C)C)c1.
What is the InChIKey of 1-[3-methyl-5-[(1-propan-2-ylpyrazol-4-yl)amino]-1,2-thiazol-4-yl]ethanone?
The InChIKey is QWJWDBAOZPKJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-7(2)16-6-10(5-13-16)14-12-11(9(4)17)8(3)15-18-12/h5-7,14H,1-4H3.
What are the key properties of 1-[3-methyl-5-[(1-propan-2-ylpyrazol-4-yl)amino]-1,2-thiazol-4-yl]ethanone?
1-[3-methyl-5-[(1-propan-2-ylpyrazol-4-yl)amino]-1,2-thiazol-4-yl]ethanone has a molecular weight of 264.35 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-5-[(1-propan-2-ylpyrazol-4-yl)amino]-1,2-thiazol-4-yl]ethanone is sourced from PubChem (CID 79363948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).