N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide

C16H20N2O3S2 — CID 47062821

IUPACN-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide
SMILESCc1ccc(Cc2sc(NC(=O)C(C)S(C)(=O)=O)nc2C)cc1
InChIInChI=1S/C16H20N2O3S2/c1-10-5-7-13(8-6-10)9-14-11(2)17-16(22-14)18-15(19)12(3)23(4,20)21/h5-8,12H,9H2,1-4H3,(H,17,18,19)
InChIKeyFUVKCQPZQFWKNJ-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.72
Rot. Bonds5

About N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide

N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide (PubChem CID 47062821) has the molecular formula C16H20N2O3S2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide
PubChem CID47062821
Molecular FormulaC16H20N2O3S2
Molecular Weight352.48 g/mol
Exact Mass352.09
IUPAC NameN-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide
SMILESCc1ccc(Cc2sc(NC(=O)C(C)S(C)(=O)=O)nc2C)cc1
InChIInChI=1S/C16H20N2O3S2/c1-10-5-7-13(8-6-10)9-14-11(2)17-16(22-14)18-15(19)12(3)23(4,20)21/h5-8,12H,9H2,1-4H3,(H,17,18,19)
InChIKeyFUVKCQPZQFWKNJ-UHFFFAOYSA-N
XLogP2.72
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide
CID 47062848
N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-propan-2-ylsulfonylacetamide
CID 87026704
1-amino-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 119737916
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzamide
CID 43837130
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)acetamide
CID 43836367
1-[[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122092678
N-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 43836582
N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]oxolane-3-carboxamide
CID 86849733
(2S,4R)-4-hydroxy-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
CID 125153850
N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55895813
4-chloro-N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 43836537
4-acetyl-1-methyl-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide
CID 87026694

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide?
The IUPAC name of N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide (CID 47062821) is N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide.
What is the SMILES notation for N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide?
The canonical SMILES for N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide is Cc1ccc(Cc2sc(NC(=O)C(C)S(C)(=O)=O)nc2C)cc1.
What is the InChIKey of N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide?
The InChIKey is FUVKCQPZQFWKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S2/c1-10-5-7-13(8-6-10)9-14-11(2)17-16(22-14)18-15(19)12(3)23(4,20)21/h5-8,12H,9H2,1-4H3,(H,17,18,19).
What are the key properties of N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide?
N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide has a molecular weight of 352.48 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide is sourced from PubChem (CID 47062821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).