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

C15H22N4OS — CID 75378545

IUPACN-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methyl-2-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCCc1nc(C)c(C(C)N(C)C(=O)Cc2cc(C)[nH]n2)s1
InChIInChI=1S/C15H22N4OS/c1-6-13-16-10(3)15(21-13)11(4)19(5)14(20)8-12-7-9(2)17-18-12/h7,11H,6,8H2,1-5H3,(H,17,18)
InChIKeyZGASYFYXAQAZKD-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.81
Rot. Bonds5

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

N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methyl-2-(5-methyl-1H-pyrazol-3-yl)acetamide (PubChem CID 75378545) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methyl-2-(5-methyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methyl-2-(5-methyl-1H-pyrazol-3-yl)acetamide
PubChem CID75378545
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC NameN-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methyl-2-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCCc1nc(C)c(C(C)N(C)C(=O)Cc2cc(C)[nH]n2)s1
InChIInChI=1S/C15H22N4OS/c1-6-13-16-10(3)15(21-13)11(4)19(5)14(20)8-12-7-9(2)17-18-12/h7,11H,6,8H2,1-5H3,(H,17,18)
InChIKeyZGASYFYXAQAZKD-UHFFFAOYSA-N
XLogP2.81
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methyl-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methyl-2-(5-methyl-1H-pyrazol-3-yl)acetamide (CID 75378545) is N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methyl-2-(5-methyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methyl-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methyl-2-(5-methyl-1H-pyrazol-3-yl)acetamide is CCc1nc(C)c(C(C)N(C)C(=O)Cc2cc(C)[nH]n2)s1.
What is the InChIKey of N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methyl-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is ZGASYFYXAQAZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-6-13-16-10(3)15(21-13)11(4)19(5)14(20)8-12-7-9(2)17-18-12/h7,11H,6,8H2,1-5H3,(H,17,18).
What are the key properties of N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methyl-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methyl-2-(5-methyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 306.44 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methyl-2-(5-methyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 75378545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).