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

C14H21N5O3S2 — CID 71802113

IUPACN-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCc1cc(C)n(-c2nc(CCNC(=O)CN(C)S(C)(=O)=O)cs2)n1
InChIInChI=1S/C14H21N5O3S2/c1-10-7-11(2)19(17-10)14-16-12(9-23-14)5-6-15-13(20)8-18(3)24(4,21)22/h7,9H,5-6,8H2,1-4H3,(H,15,20)
InChIKeyBALYRGDEELWCPS-UHFFFAOYSA-N
MW371.49 g/mol
LogP0.50
Rot. Bonds7

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

N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-[methyl(methylsulfonyl)amino]acetamide (PubChem CID 71802113) has the molecular formula C14H21N5O3S2 and a molecular weight of 371.49 g/mol. Its IUPAC name is N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-[methyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-[methyl(methylsulfonyl)amino]acetamide
PubChem CID71802113
Molecular FormulaC14H21N5O3S2
Molecular Weight371.49 g/mol
Exact Mass371.11
IUPAC NameN-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCc1cc(C)n(-c2nc(CCNC(=O)CN(C)S(C)(=O)=O)cs2)n1
InChIInChI=1S/C14H21N5O3S2/c1-10-7-11(2)19(17-10)14-16-12(9-23-14)5-6-15-13(20)8-18(3)24(4,21)22/h7,9H,5-6,8H2,1-4H3,(H,15,20)
InChIKeyBALYRGDEELWCPS-UHFFFAOYSA-N
XLogP0.50
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 46968831
2-(3,5-dimethylpyrazol-1-yl)-N-(2-piperidin-1-ylsulfonylethyl)-1,3-thiazole-4-carboxamide
CID 46969398
N-[4-[3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 72142629
N-(4-(2-amino-2-oxoethyl)thiazol-2-yl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)acetamide
CID 49720286
N-(2-(2-(3,5-dimethyl-1H-pyrazol-1-yl)thiazol-4-yl)ethyl)-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 71802058
N-(2-(2-(3,5-dimethyl-1H-pyrazol-1-yl)thiazol-4-yl)ethyl)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanamide
CID 71802064
ethyl 4-((2-(2-(3,5-dimethyl-1H-pyrazol-1-yl)thiazol-4-yl)ethyl)amino)-4-oxobutanoate
CID 71802072
({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3-thiazol-4-yl]ethyl}sulfamoyl)dimethylamine
CID 71802127
2-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 45804051
2-{2-[3,5-Dimethyl-4-(prop-2-EN-1-YL)-1H-pyrazol-1-YL]-1,3-thiazol-4-YL}-N-propylacetamide
CID 46269571
2-(5-amino-3-methyl-1H-pyrazol-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 91793812
2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 5143326

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-[methyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-[methyl(methylsulfonyl)amino]acetamide (CID 71802113) is N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-[methyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-[methyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-[methyl(methylsulfonyl)amino]acetamide is Cc1cc(C)n(-c2nc(CCNC(=O)CN(C)S(C)(=O)=O)cs2)n1.
What is the InChIKey of N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-[methyl(methylsulfonyl)amino]acetamide?
The InChIKey is BALYRGDEELWCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O3S2/c1-10-7-11(2)19(17-10)14-16-12(9-23-14)5-6-15-13(20)8-18(3)24(4,21)22/h7,9H,5-6,8H2,1-4H3,(H,15,20).
What are the key properties of N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-[methyl(methylsulfonyl)amino]acetamide?
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-[methyl(methylsulfonyl)amino]acetamide has a molecular weight of 371.49 g/mol, XLogP of 0.50, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-[methyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 71802113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).