2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide

C13H18N4OS — CID 46265273

IUPAC2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide
SMILESCc1cc(C)n(-c2nc(CC(=O)NC(C)C)cs2)n1
InChIInChI=1S/C13H18N4OS/c1-8(2)14-12(18)6-11-7-19-13(15-11)17-10(4)5-9(3)16-17/h5,7-8H,6H2,1-4H3,(H,14,18)
InChIKeyGVIHFHGPDPGUFZ-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.01
Rot. Bonds4

About 2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide

2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide (PubChem CID 46265273) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide
PubChem CID46265273
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide
SMILESCc1cc(C)n(-c2nc(CC(=O)NC(C)C)cs2)n1
InChIInChI=1S/C13H18N4OS/c1-8(2)14-12(18)6-11-7-19-13(15-11)17-10(4)5-9(3)16-17/h5,7-8H,6H2,1-4H3,(H,14,18)
InChIKeyGVIHFHGPDPGUFZ-UHFFFAOYSA-N
XLogP2.01
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide (CID 46265273) is 2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide is Cc1cc(C)n(-c2nc(CC(=O)NC(C)C)cs2)n1.
What is the InChIKey of 2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide?
The InChIKey is GVIHFHGPDPGUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-8(2)14-12(18)6-11-7-19-13(15-11)17-10(4)5-9(3)16-17/h5,7-8H,6H2,1-4H3,(H,14,18).
What are the key properties of 2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide?
2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide has a molecular weight of 278.38 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 46265273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).