N-(3-hydroxypropyl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide

C12H21N3O4S2 — CID 61038919

IUPACN-(3-hydroxypropyl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide
SMILESCC(C)N(CCCO)C(=O)Cc1csc(NS(C)(=O)=O)n1
InChIInChI=1S/C12H21N3O4S2/c1-9(2)15(5-4-6-16)11(17)7-10-8-20-12(13-10)14-21(3,18)19/h8-9,16H,4-7H2,1-3H3,(H,13,14)
InChIKeyFJMNJXPDSGYUJF-UHFFFAOYSA-N
MW335.45 g/mol
LogP0.68
Rot. Bonds8

About N-(3-hydroxypropyl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide

N-(3-hydroxypropyl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide (PubChem CID 61038919) has the molecular formula C12H21N3O4S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide
PubChem CID61038919
Molecular FormulaC12H21N3O4S2
Molecular Weight335.45 g/mol
Exact Mass335.10
IUPAC NameN-(3-hydroxypropyl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide
SMILESCC(C)N(CCCO)C(=O)Cc1csc(NS(C)(=O)=O)n1
InChIInChI=1S/C12H21N3O4S2/c1-9(2)15(5-4-6-16)11(17)7-10-8-20-12(13-10)14-21(3,18)19/h8-9,16H,4-7H2,1-3H3,(H,13,14)
InChIKeyFJMNJXPDSGYUJF-UHFFFAOYSA-N
XLogP0.68
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-N-(2-hydroxyethyl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 43577119
N-(3-hydroxypropyl)-N-propan-2-yl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 61038550
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-(1-hydroxy-4-methylpentan-2-yl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 61245747
N-[(2S)-1-hydroxybutan-2-yl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 93041415
N-(2,3-dihydroxy-2-methylpropyl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 66170440
N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 25346591
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
2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide
CID 61003397
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-(3-hydroxypropyl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide?
The IUPAC name of N-(3-hydroxypropyl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide (CID 61038919) is N-(3-hydroxypropyl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for N-(3-hydroxypropyl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide?
The canonical SMILES for N-(3-hydroxypropyl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide is CC(C)N(CCCO)C(=O)Cc1csc(NS(C)(=O)=O)n1.
What is the InChIKey of N-(3-hydroxypropyl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide?
The InChIKey is FJMNJXPDSGYUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4S2/c1-9(2)15(5-4-6-16)11(17)7-10-8-20-12(13-10)14-21(3,18)19/h8-9,16H,4-7H2,1-3H3,(H,13,14).
What are the key properties of N-(3-hydroxypropyl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide?
N-(3-hydroxypropyl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide has a molecular weight of 335.45 g/mol, XLogP of 0.68, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 61038919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).