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

C16H19FN4O4S2 — CID 11154210

IUPAC2-[[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]carbamoylamino]-N,N-dimethylacetamide
SMILESCc1nc(NC(=O)NCC(=O)N(C)C)sc1-c1ccc(S(C)(=O)=O)c(F)c1
InChIInChI=1S/C16H19FN4O4S2/c1-9-14(10-5-6-12(11(17)7-10)27(4,24)25)26-16(19-9)20-15(23)18-8-13(22)21(2)3/h5-7H,8H2,1-4H3,(H2,18,19,20,23)
InChIKeyDKZGKUZHMHEHBU-UHFFFAOYSA-N
MW414.48 g/mol
LogP1.87
Rot. Bonds5

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

2-[[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]carbamoylamino]-N,N-dimethylacetamide (PubChem CID 11154210) has the molecular formula C16H19FN4O4S2 and a molecular weight of 414.48 g/mol. Its IUPAC name is 2-[[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]carbamoylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]carbamoylamino]-N,N-dimethylacetamide
PubChem CID11154210
Molecular FormulaC16H19FN4O4S2
Molecular Weight414.48 g/mol
Exact Mass414.08
IUPAC Name2-[[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]carbamoylamino]-N,N-dimethylacetamide
SMILESCc1nc(NC(=O)NCC(=O)N(C)C)sc1-c1ccc(S(C)(=O)=O)c(F)c1
InChIInChI=1S/C16H19FN4O4S2/c1-9-14(10-5-6-12(11(17)7-10)27(4,24)25)26-16(19-9)20-15(23)18-8-13(22)21(2)3/h5-7H,8H2,1-4H3,(H2,18,19,20,23)
InChIKeyDKZGKUZHMHEHBU-UHFFFAOYSA-N
XLogP1.87
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]carbamoylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]carbamoylamino]-N,N-dimethylacetamide (CID 11154210) is 2-[[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]carbamoylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]carbamoylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]carbamoylamino]-N,N-dimethylacetamide is Cc1nc(NC(=O)NCC(=O)N(C)C)sc1-c1ccc(S(C)(=O)=O)c(F)c1.
What is the InChIKey of 2-[[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]carbamoylamino]-N,N-dimethylacetamide?
The InChIKey is DKZGKUZHMHEHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O4S2/c1-9-14(10-5-6-12(11(17)7-10)27(4,24)25)26-16(19-9)20-15(23)18-8-13(22)21(2)3/h5-7H,8H2,1-4H3,(H2,18,19,20,23).
What are the key properties of 2-[[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]carbamoylamino]-N,N-dimethylacetamide?
2-[[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]carbamoylamino]-N,N-dimethylacetamide has a molecular weight of 414.48 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]carbamoylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 11154210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).