N-(2,3-dihydroxy-2-methylpropyl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide

C10H17N3O5S2 — CID 66170440

IUPACN-(2,3-dihydroxy-2-methylpropyl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
SMILESCC(O)(CO)CNC(=O)Cc1csc(NS(C)(=O)=O)n1
InChIInChI=1S/C10H17N3O5S2/c1-10(16,6-14)5-11-8(15)3-7-4-19-9(12-7)13-20(2,17)18/h4,14,16H,3,5-6H2,1-2H3,(H,11,15)(H,12,13)
InChIKeyIPSXKFWFOTZGSJ-UHFFFAOYSA-N
MW323.40 g/mol
LogP-1.08
Rot. Bonds7

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

N-(2,3-dihydroxy-2-methylpropyl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide (PubChem CID 66170440) has the molecular formula C10H17N3O5S2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-(2,3-dihydroxy-2-methylpropyl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydroxy-2-methylpropyl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
PubChem CID66170440
Molecular FormulaC10H17N3O5S2
Molecular Weight323.40 g/mol
Exact Mass323.06
IUPAC NameN-(2,3-dihydroxy-2-methylpropyl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
SMILESCC(O)(CO)CNC(=O)Cc1csc(NS(C)(=O)=O)n1
InChIInChI=1S/C10H17N3O5S2/c1-10(16,6-14)5-11-8(15)3-7-4-19-9(12-7)13-20(2,17)18/h4,14,16H,3,5-6H2,1-2H3,(H,11,15)(H,12,13)
InChIKeyIPSXKFWFOTZGSJ-UHFFFAOYSA-N
XLogP-1.08
TPSA128.62 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 5-1.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

3-hydroxy-2-[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
CID 43357669
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
2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide
CID 61003397
N-(1-hydroxy-4-methylpentan-2-yl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 61245747
N-(2-amino-2-oxoethoxy)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 112674449
2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide
CID 138673654
N-[4-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 119641765
ethyl 2-[[2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]acetate
CID 108802089
N-[4-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride
CID 119627196
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 41063797

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide (CID 66170440) is N-(2,3-dihydroxy-2-methylpropyl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(2,3-dihydroxy-2-methylpropyl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(2,3-dihydroxy-2-methylpropyl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide is CC(O)(CO)CNC(=O)Cc1csc(NS(C)(=O)=O)n1.
What is the InChIKey of N-(2,3-dihydroxy-2-methylpropyl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide?
The InChIKey is IPSXKFWFOTZGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O5S2/c1-10(16,6-14)5-11-8(15)3-7-4-19-9(12-7)13-20(2,17)18/h4,14,16H,3,5-6H2,1-2H3,(H,11,15)(H,12,13).
What are the key properties of N-(2,3-dihydroxy-2-methylpropyl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide?
N-(2,3-dihydroxy-2-methylpropyl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide has a molecular weight of 323.40 g/mol, XLogP of -1.08, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxy-2-methylpropyl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 66170440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).