N-[4-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide

C13H14N2O3S2 — CID 70682591

IUPACN-[4-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2ccc(S(C)(=O)=O)cc2)s1
InChIInChI=1S/C13H14N2O3S2/c1-8-12(19-13(14-8)15-9(2)16)10-4-6-11(7-5-10)20(3,17)18/h4-7H,1-3H3,(H,14,15,16)
InChIKeyCDPSHQONYNLIBI-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.48
Rot. Bonds3

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

N-[4-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 70682591) has the molecular formula C13H14N2O3S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[4-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID70682591
Molecular FormulaC13H14N2O3S2
Molecular Weight310.40 g/mol
Exact Mass310.04
IUPAC NameN-[4-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2ccc(S(C)(=O)=O)cc2)s1
InChIInChI=1S/C13H14N2O3S2/c1-8-12(19-13(14-8)15-9(2)16)10-4-6-11(7-5-10)20(3,17)18/h4-7H,1-3H3,(H,14,15,16)
InChIKeyCDPSHQONYNLIBI-UHFFFAOYSA-N
XLogP2.48
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide (CID 70682591) is N-[4-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2ccc(S(C)(=O)=O)cc2)s1.
What is the InChIKey of N-[4-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is CDPSHQONYNLIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S2/c1-8-12(19-13(14-8)15-9(2)16)10-4-6-11(7-5-10)20(3,17)18/h4-7H,1-3H3,(H,14,15,16).
What are the key properties of N-[4-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide?
N-[4-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 310.40 g/mol, XLogP of 2.48, 3 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-methylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 70682591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).