N-[(2S)-1-hydroxybutan-2-yl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide

C10H17N3O4S2 — CID 93041415

IUPACN-[(2S)-1-hydroxybutan-2-yl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
SMILESCC[C@@H](CO)NC(=O)Cc1csc(NS(C)(=O)=O)n1
InChIInChI=1S/C10H17N3O4S2/c1-3-7(5-14)11-9(15)4-8-6-18-10(12-8)13-19(2,16)17/h6-7,14H,3-5H2,1-2H3,(H,11,15)(H,12,13)/t7-/m0/s1
InChIKeyOVRZEOGIYQSIOA-ZETCQYMHSA-N
MW307.40 g/mol
LogP-0.06
Rot. Bonds7

About N-[(2S)-1-hydroxybutan-2-yl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide

N-[(2S)-1-hydroxybutan-2-yl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide (PubChem CID 93041415) has the molecular formula C10H17N3O4S2 and a molecular weight of 307.40 g/mol. Its IUPAC name is N-[(2S)-1-hydroxybutan-2-yl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxybutan-2-yl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
PubChem CID93041415
Molecular FormulaC10H17N3O4S2
Molecular Weight307.40 g/mol
Exact Mass307.07
IUPAC NameN-[(2S)-1-hydroxybutan-2-yl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
SMILESCC[C@@H](CO)NC(=O)Cc1csc(NS(C)(=O)=O)n1
InChIInChI=1S/C10H17N3O4S2/c1-3-7(5-14)11-9(15)4-8-6-18-10(12-8)13-19(2,16)17/h6-7,14H,3-5H2,1-2H3,(H,11,15)(H,12,13)/t7-/m0/s1
InChIKeyOVRZEOGIYQSIOA-ZETCQYMHSA-N
XLogP-0.06
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-hydroxy-4-methylpentan-2-yl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 61245747
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
2-(2-ethyl-1,3-thiazol-4-yl)-N-(1-hydroxybutan-2-yl)acetamide
CID 110903716
2-[[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]methyl]butanoic acid
CID 65218128
2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]-N-(1-hydroxybutan-2-yl)acetamide
CID 82547902
N-(2,3-dihydroxy-2-methylpropyl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 66170440
N-(2-amino-2-oxoethoxy)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 112674449
N-(1-hydroxybutan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 43418004
N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 25346591
2-(2-amino-1,3-thiazol-4-yl)-N-pentan-3-ylacetamide
CID 62797095
2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide
CID 61003397

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide (CID 93041415) is N-[(2S)-1-hydroxybutan-2-yl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-hydroxybutan-2-yl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[(2S)-1-hydroxybutan-2-yl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide is CC[C@@H](CO)NC(=O)Cc1csc(NS(C)(=O)=O)n1.
What is the InChIKey of N-[(2S)-1-hydroxybutan-2-yl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide?
The InChIKey is OVRZEOGIYQSIOA-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H17N3O4S2/c1-3-7(5-14)11-9(15)4-8-6-18-10(12-8)13-19(2,16)17/h6-7,14H,3-5H2,1-2H3,(H,11,15)(H,12,13)/t7-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxybutan-2-yl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide?
N-[(2S)-1-hydroxybutan-2-yl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide has a molecular weight of 307.40 g/mol, XLogP of -0.06, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxybutan-2-yl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 93041415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).