(2S)-2-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide

C8H12N2O3S2 — CID 94173388

IUPAC(2S)-2-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1csc(NC(=O)[C@H](C)S(C)(=O)=O)n1
InChIInChI=1S/C8H12N2O3S2/c1-5-4-14-8(9-5)10-7(11)6(2)15(3,12)13/h4,6H,1-3H3,(H,9,10,11)/t6-/m0/s1
InChIKeyQJFQQTMXEFDSIL-LURJTMIESA-N
MW248.33 g/mol
LogP0.82
Rot. Bonds3

About (2S)-2-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide

(2S)-2-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 94173388) has the molecular formula C8H12N2O3S2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (2S)-2-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID94173388
Molecular FormulaC8H12N2O3S2
Molecular Weight248.33 g/mol
Exact Mass248.03
IUPAC Name(2S)-2-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1csc(NC(=O)[C@H](C)S(C)(=O)=O)n1
InChIInChI=1S/C8H12N2O3S2/c1-5-4-14-8(9-5)10-7(11)6(2)15(3,12)13/h4,6H,1-3H3,(H,9,10,11)/t6-/m0/s1
InChIKeyQJFQQTMXEFDSIL-LURJTMIESA-N
XLogP0.82
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Acetamido-4-methylthiazole
CID 280907
N-(4-methylthiazol-2-yl)propionamide
CID 3613666
N-(4-methyl-5-sulfamoylthiazol-2-yl)acetamide
CID 3244062
2-Acetamido-4-methylthiazole-5-sulfonyl chloride
CID 96951
2-Acetamido-4-methanesulfonyl-N-(4-methyl-1,3-thiazol-2-YL)butanamide
CID 3238677
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 1235811
2-((4-amino-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-(4-methylthiazol-2-yl)acetamide
CID 7196678
N-(4-methyl-1,3-thiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2221983
N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]propanamide
CID 14962263
N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]-2-methylpropanamide
CID 14962264
N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 14962265
N-(4-methyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 2421541

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2S)-2-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide (CID 94173388) is (2S)-2-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-2-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2S)-2-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide is Cc1csc(NC(=O)[C@H](C)S(C)(=O)=O)n1.
What is the InChIKey of (2S)-2-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is QJFQQTMXEFDSIL-LURJTMIESA-N. The full InChI is InChI=1S/C8H12N2O3S2/c1-5-4-14-8(9-5)10-7(11)6(2)15(3,12)13/h4,6H,1-3H3,(H,9,10,11)/t6-/m0/s1.
What are the key properties of (2S)-2-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
(2S)-2-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 248.33 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 94173388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).