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

C13H19N5OS — CID 91793812

IUPAC2-(5-amino-3-methylpyrazol-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide
SMILESCCc1nc(C)sc1CNC(=O)Cn1nc(C)cc1N
InChIInChI=1S/C13H19N5OS/c1-4-10-11(20-9(3)16-10)6-15-13(19)7-18-12(14)5-8(2)17-18/h5H,4,6-7,14H2,1-3H3,(H,15,19)
InChIKeyLKGKRPKGHXXZAR-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.42
Rot. Bonds5

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

2-(5-amino-3-methylpyrazol-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide (PubChem CID 91793812) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 2-(5-amino-3-methylpyrazol-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-amino-3-methylpyrazol-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide
PubChem CID91793812
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name2-(5-amino-3-methylpyrazol-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide
SMILESCCc1nc(C)sc1CNC(=O)Cn1nc(C)cc1N
InChIInChI=1S/C13H19N5OS/c1-4-10-11(20-9(3)16-10)6-15-13(19)7-18-12(14)5-8(2)17-18/h5H,4,6-7,14H2,1-3H3,(H,15,19)
InChIKeyLKGKRPKGHXXZAR-UHFFFAOYSA-N
XLogP1.42
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-methylpyrazol-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(5-amino-3-methylpyrazol-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide (CID 91793812) is 2-(5-amino-3-methylpyrazol-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(5-amino-3-methylpyrazol-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(5-amino-3-methylpyrazol-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide is CCc1nc(C)sc1CNC(=O)Cn1nc(C)cc1N.
What is the InChIKey of 2-(5-amino-3-methylpyrazol-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide?
The InChIKey is LKGKRPKGHXXZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-4-10-11(20-9(3)16-10)6-15-13(19)7-18-12(14)5-8(2)17-18/h5H,4,6-7,14H2,1-3H3,(H,15,19).
What are the key properties of 2-(5-amino-3-methylpyrazol-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide?
2-(5-amino-3-methylpyrazol-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide has a molecular weight of 293.40 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-methylpyrazol-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 91793812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).