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

C15H23N5OS — CID 50962019

IUPACN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetamide
SMILESCCn1nc(C)c(NC(=O)CN(C)C(C)c2nccs2)c1C
InChIInChI=1S/C15H23N5OS/c1-6-20-11(3)14(10(2)18-20)17-13(21)9-19(5)12(4)15-16-7-8-22-15/h7-8,12H,6,9H2,1-5H3,(H,17,21)
InChIKeyOGGYDGDWSITWFY-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.61
Rot. Bonds6

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

N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetamide (PubChem CID 50962019) has the molecular formula C15H23N5OS and a molecular weight of 321.45 g/mol. Its IUPAC name is N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetamide
PubChem CID50962019
Molecular FormulaC15H23N5OS
Molecular Weight321.45 g/mol
Exact Mass321.16
IUPAC NameN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetamide
SMILESCCn1nc(C)c(NC(=O)CN(C)C(C)c2nccs2)c1C
InChIInChI=1S/C15H23N5OS/c1-6-20-11(3)14(10(2)18-20)17-13(21)9-19(5)12(4)15-16-7-8-22-15/h7-8,12H,6,9H2,1-5H3,(H,17,21)
InChIKeyOGGYDGDWSITWFY-UHFFFAOYSA-N
XLogP2.61
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetamide?
The IUPAC name of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetamide (CID 50962019) is N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetamide.
What is the SMILES notation for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetamide?
The canonical SMILES for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetamide is CCn1nc(C)c(NC(=O)CN(C)C(C)c2nccs2)c1C.
What is the InChIKey of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetamide?
The InChIKey is OGGYDGDWSITWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5OS/c1-6-20-11(3)14(10(2)18-20)17-13(21)9-19(5)12(4)15-16-7-8-22-15/h7-8,12H,6,9H2,1-5H3,(H,17,21).
What are the key properties of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetamide?
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetamide has a molecular weight of 321.45 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetamide is sourced from PubChem (CID 50962019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).