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

C15H22N4OS — CID 50974363

IUPACN-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCCc1c(C)nn(CCNC(=O)Cc2csc(C)n2)c1C
InChIInChI=1S/C15H22N4OS/c1-5-14-10(2)18-19(11(14)3)7-6-16-15(20)8-13-9-21-12(4)17-13/h9H,5-8H2,1-4H3,(H,16,20)
InChIKeyUFHQNJQPFXHSSM-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.19
Rot. Bonds6

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

N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 50974363) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID50974363
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC NameN-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCCc1c(C)nn(CCNC(=O)Cc2csc(C)n2)c1C
InChIInChI=1S/C15H22N4OS/c1-5-14-10(2)18-19(11(14)3)7-6-16-15(20)8-13-9-21-12(4)17-13/h9H,5-8H2,1-4H3,(H,16,20)
InChIKeyUFHQNJQPFXHSSM-UHFFFAOYSA-N
XLogP2.19
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(3,5-Dimethylpyrazol-1-yl)-2-methylpropyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 45827587
N-isopropyl-2-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 50962766
N-[2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 50973597
1-[3-(3,5-Dimethylpyrazol-1-yl)-2-methylpropyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 51084055
1-[2-[(3,5-Dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 56779489
1-[3-(3,5-Dimethylpyrazol-1-yl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 56779791
2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 70729813
2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-{2-[(methylthio)methyl]-1,3-thiazol-4-yl}ethyl)acetamide
CID 72848138
2-Amino-2-(3,5-dimethyl-1H-pyrazol-4-YL)-N-[2-(2-isopropyl-1,3-thiazol-4-YL)ethyl]acetamide
CID 72866373
N-{2-methyl-3-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}-2-propyl-1,3-thiazole-4-carboxamide
CID 72917099
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide
CID 75358483
2-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 45804051

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 50974363) is N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is CCc1c(C)nn(CCNC(=O)Cc2csc(C)n2)c1C.
What is the InChIKey of N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is UFHQNJQPFXHSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-5-14-10(2)18-19(11(14)3)7-6-16-15(20)8-13-9-21-12(4)17-13/h9H,5-8H2,1-4H3,(H,16,20).
What are the key properties of N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 306.44 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 50974363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).