N-(1-hydroxy-4-methylpentan-2-yl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide

C12H21N3O4S2 — CID 61245747

IUPACN-(1-hydroxy-4-methylpentan-2-yl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
SMILESCC(C)CC(CO)NC(=O)Cc1csc(NS(C)(=O)=O)n1
InChIInChI=1S/C12H21N3O4S2/c1-8(2)4-9(6-16)13-11(17)5-10-7-20-12(14-10)15-21(3,18)19/h7-9,16H,4-6H2,1-3H3,(H,13,17)(H,14,15)
InChIKeyZRQRKFJPPNHWSX-UHFFFAOYSA-N
MW335.45 g/mol
LogP0.58
Rot. Bonds8

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

N-(1-hydroxy-4-methylpentan-2-yl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide (PubChem CID 61245747) has the molecular formula C12H21N3O4S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-2-yl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-2-yl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
PubChem CID61245747
Molecular FormulaC12H21N3O4S2
Molecular Weight335.45 g/mol
Exact Mass335.10
IUPAC NameN-(1-hydroxy-4-methylpentan-2-yl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
SMILESCC(C)CC(CO)NC(=O)Cc1csc(NS(C)(=O)=O)n1
InChIInChI=1S/C12H21N3O4S2/c1-8(2)4-9(6-16)13-11(17)5-10-7-20-12(14-10)15-21(3,18)19/h7-9,16H,4-6H2,1-3H3,(H,13,17)(H,14,15)
InChIKeyZRQRKFJPPNHWSX-UHFFFAOYSA-N
XLogP0.58
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-1-hydroxybutan-2-yl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 93041415
3-hydroxy-2-[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
CID 43357669
N-butan-2-yl-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 60716435
N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 25346591
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
2-[[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]methyl]butanoic acid
CID 65218128
N-(3-hydroxypropyl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide
CID 61038919
N-[(1R)-1,4-diphenylbutyl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 51931287
2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide
CID 138673654
2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide
CID 61003397
2-(2-ethyl-1,3-thiazol-4-yl)-N-(1-hydroxybutan-2-yl)acetamide
CID 110903716

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide (CID 61245747) is N-(1-hydroxy-4-methylpentan-2-yl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-2-yl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-2-yl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide is CC(C)CC(CO)NC(=O)Cc1csc(NS(C)(=O)=O)n1.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-2-yl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide?
The InChIKey is ZRQRKFJPPNHWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4S2/c1-8(2)4-9(6-16)13-11(17)5-10-7-20-12(14-10)15-21(3,18)19/h7-9,16H,4-6H2,1-3H3,(H,13,17)(H,14,15).
What are the key properties of N-(1-hydroxy-4-methylpentan-2-yl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide?
N-(1-hydroxy-4-methylpentan-2-yl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide has a molecular weight of 335.45 g/mol, XLogP of 0.58, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-2-yl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 61245747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).