2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide

C13H19N5OS — CID 61471909

IUPAC2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCCc1nc(NC(=O)Cn2nc(C)c(N)c2C)sc1C
InChIInChI=1S/C13H19N5OS/c1-5-10-9(4)20-13(15-10)16-11(19)6-18-8(3)12(14)7(2)17-18/h5-6,14H2,1-4H3,(H,15,16,19)
InChIKeyKQYZINQSCUAAQB-UHFFFAOYSA-N
MW293.40 g/mol
LogP2.05
Rot. Bonds4

About 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide

2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 61471909) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID61471909
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCCc1nc(NC(=O)Cn2nc(C)c(N)c2C)sc1C
InChIInChI=1S/C13H19N5OS/c1-5-10-9(4)20-13(15-10)16-11(19)6-18-8(3)12(14)7(2)17-18/h5-6,14H2,1-4H3,(H,15,16,19)
InChIKeyKQYZINQSCUAAQB-UHFFFAOYSA-N
XLogP2.05
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide (CID 61471909) is 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide is CCc1nc(NC(=O)Cn2nc(C)c(N)c2C)sc1C.
What is the InChIKey of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is KQYZINQSCUAAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-5-10-9(4)20-13(15-10)16-11(19)6-18-8(3)12(14)7(2)17-18/h5-6,14H2,1-4H3,(H,15,16,19).
What are the key properties of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide?
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 293.40 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 61471909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).