2-(3,5-dimethylpyrazol-1-yl)-N-(4-ethyl-1,3-thiazol-2-yl)propanamide

C13H18N4OS — CID 56826725

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-(4-ethyl-1,3-thiazol-2-yl)propanamide
SMILESCCc1csc(NC(=O)C(C)n2nc(C)cc2C)n1
InChIInChI=1S/C13H18N4OS/c1-5-11-7-19-13(14-11)15-12(18)10(4)17-9(3)6-8(2)16-17/h6-7,10H,5H2,1-4H3,(H,14,15,18)
InChIKeyVGBBCGPSJAPKSQ-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.72
Rot. Bonds4

About 2-(3,5-dimethylpyrazol-1-yl)-N-(4-ethyl-1,3-thiazol-2-yl)propanamide

2-(3,5-dimethylpyrazol-1-yl)-N-(4-ethyl-1,3-thiazol-2-yl)propanamide (PubChem CID 56826725) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-(4-ethyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-(4-ethyl-1,3-thiazol-2-yl)propanamide
PubChem CID56826725
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-(4-ethyl-1,3-thiazol-2-yl)propanamide
SMILESCCc1csc(NC(=O)C(C)n2nc(C)cc2C)n1
InChIInChI=1S/C13H18N4OS/c1-5-11-7-19-13(14-11)15-12(18)10(4)17-9(3)6-8(2)16-17/h6-7,10H,5H2,1-4H3,(H,14,15,18)
InChIKeyVGBBCGPSJAPKSQ-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-(4-ethyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-(4-ethyl-1,3-thiazol-2-yl)propanamide (CID 56826725) is 2-(3,5-dimethylpyrazol-1-yl)-N-(4-ethyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-(4-ethyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-(4-ethyl-1,3-thiazol-2-yl)propanamide is CCc1csc(NC(=O)C(C)n2nc(C)cc2C)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-(4-ethyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is VGBBCGPSJAPKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-5-11-7-19-13(14-11)15-12(18)10(4)17-9(3)6-8(2)16-17/h6-7,10H,5H2,1-4H3,(H,14,15,18).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-(4-ethyl-1,3-thiazol-2-yl)propanamide?
2-(3,5-dimethylpyrazol-1-yl)-N-(4-ethyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 278.38 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-(4-ethyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 56826725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).