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

C11H15N5O3S2 — CID 43546789

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
SMILESCc1n[nH]c(C)c1NC(=O)Cc1csc(NS(C)(=O)=O)n1
InChIInChI=1S/C11H15N5O3S2/c1-6-10(7(2)15-14-6)13-9(17)4-8-5-20-11(12-8)16-21(3,18)19/h5H,4H2,1-3H3,(H,12,16)(H,13,17)(H,14,15)
InChIKeyHYZGGIWPVIHANW-UHFFFAOYSA-N
MW329.41 g/mol
LogP1.04
Rot. Bonds5

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

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide (PubChem CID 43546789) has the molecular formula C11H15N5O3S2 and a molecular weight of 329.41 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
PubChem CID43546789
Molecular FormulaC11H15N5O3S2
Molecular Weight329.41 g/mol
Exact Mass329.06
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
SMILESCc1n[nH]c(C)c1NC(=O)Cc1csc(NS(C)(=O)=O)n1
InChIInChI=1S/C11H15N5O3S2/c1-6-10(7(2)15-14-6)13-9(17)4-8-5-20-11(12-8)16-21(3,18)19/h5H,4H2,1-3H3,(H,12,16)(H,13,17)(H,14,15)
InChIKeyHYZGGIWPVIHANW-UHFFFAOYSA-N
XLogP1.04
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-Acetylamino-thiazole-4-carboxylic acid (3,5-dimethyl-1H-pyrazol-4-yl)-amide
CID 652326
1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(4-ethyl-1,3-thiazol-2-yl)urea
CID 75434350
N'-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide
CID 2683734
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 43250632
2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-(1H-pyrazol-4-yl)acetamide
CID 43540446
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
CID 43546450
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 43546554
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 43546767
2-(2-amino-1,3-thiazol-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 55119838
2-(2-amino-1,3-thiazol-4-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 55119976
2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 62788375
2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62794429

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide (CID 43546789) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide is Cc1n[nH]c(C)c1NC(=O)Cc1csc(NS(C)(=O)=O)n1.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide?
The InChIKey is HYZGGIWPVIHANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3S2/c1-6-10(7(2)15-14-6)13-9(17)4-8-5-20-11(12-8)16-21(3,18)19/h5H,4H2,1-3H3,(H,12,16)(H,13,17)(H,14,15).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide has a molecular weight of 329.41 g/mol, XLogP of 1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 43546789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).