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

C11H15N5O3S2 — CID 61003397

IUPAC2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide
SMILESCc1[nH]ncc1CNC(=O)Cc1csc(NS(C)(=O)=O)n1
InChIInChI=1S/C11H15N5O3S2/c1-7-8(5-13-15-7)4-12-10(17)3-9-6-20-11(14-9)16-21(2,18)19/h5-6H,3-4H2,1-2H3,(H,12,17)(H,13,15)(H,14,16)
InChIKeyQHYJUCHDOKAFMI-UHFFFAOYSA-N
MW329.41 g/mol
LogP0.41
Rot. Bonds6

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

2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide (PubChem CID 61003397) has the molecular formula C11H15N5O3S2 and a molecular weight of 329.41 g/mol. Its IUPAC name is 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide
PubChem CID61003397
Molecular FormulaC11H15N5O3S2
Molecular Weight329.41 g/mol
Exact Mass329.06
IUPAC Name2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide
SMILESCc1[nH]ncc1CNC(=O)Cc1csc(NS(C)(=O)=O)n1
InChIInChI=1S/C11H15N5O3S2/c1-7-8(5-13-15-7)4-12-10(17)3-9-6-20-11(14-9)16-21(2,18)19/h5-6H,3-4H2,1-2H3,(H,12,17)(H,13,15)(H,14,16)
InChIKeyQHYJUCHDOKAFMI-UHFFFAOYSA-N
XLogP0.41
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydroxy-2-methylpropyl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 66170440
N-[(2S)-1-hydroxybutan-2-yl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 93041415
2-[[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]methyl]butanoic acid
CID 65218128
N-butan-2-yl-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 60716435
3-hydroxy-2-[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
CID 43357669
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-3-ylacetamide
CID 61021531
N-(2-amino-2-oxoethoxy)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 112674449
2-(2-amino-1,3-thiazol-4-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
CID 55119507
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide
CID 61022406
N-(1-hydroxy-4-methylpentan-2-yl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 61245747
N-[3-[[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 43055700
3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide
CID 60767372

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide (CID 61003397) is 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide is Cc1[nH]ncc1CNC(=O)Cc1csc(NS(C)(=O)=O)n1.
What is the InChIKey of 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide?
The InChIKey is QHYJUCHDOKAFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3S2/c1-7-8(5-13-15-7)4-12-10(17)3-9-6-20-11(14-9)16-21(2,18)19/h5-6H,3-4H2,1-2H3,(H,12,17)(H,13,15)(H,14,16).
What are the key properties of 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide?
2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide has a molecular weight of 329.41 g/mol, XLogP of 0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 61003397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).