[2,3-dimethyl-6-[(4-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate

C15H16N2O5S2 — CID 87723986

IUPAC[2,3-dimethyl-6-[(4-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1c(C(=O)Nc2nc(S(C)(=O)=O)cs2)ccc(C)c1C
InChIInChI=1S/C15H16N2O5S2/c1-8-5-6-11(13(9(8)2)22-10(3)18)14(19)17-15-16-12(7-23-15)24(4,20)21/h5-7H,1-4H3,(H,16,17,19)
InChIKeyXIRUWXCTPNNTFX-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.34
Rot. Bonds4

About [2,3-dimethyl-6-[(4-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate

[2,3-dimethyl-6-[(4-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate (PubChem CID 87723986) has the molecular formula C15H16N2O5S2 and a molecular weight of 368.44 g/mol. Its IUPAC name is [2,3-dimethyl-6-[(4-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[2,3-dimethyl-6-[(4-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate
PubChem CID87723986
Molecular FormulaC15H16N2O5S2
Molecular Weight368.44 g/mol
Exact Mass368.05
IUPAC Name[2,3-dimethyl-6-[(4-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1c(C(=O)Nc2nc(S(C)(=O)=O)cs2)ccc(C)c1C
InChIInChI=1S/C15H16N2O5S2/c1-8-5-6-11(13(9(8)2)22-10(3)18)14(19)17-15-16-12(7-23-15)24(4,20)21/h5-7H,1-4H3,(H,16,17,19)
InChIKeyXIRUWXCTPNNTFX-UHFFFAOYSA-N
XLogP2.34
TPSA102.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[2-bromo-6-[[4-(methanesulfonamido)-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate
CID 25185278
[2-[(4-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] hexanoate
CID 57329900
2-methyl-5-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 26362533
N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dimethylbenzamide
CID 47143245
2-hydroxy-3,4-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 78895805
1-(4-methyl-1,3-thiazol-2-yl)-3-[(2,3,6-trimethylphenoxy)methyl]urea
CID 108880217
2-methyl-5-methylsulfonyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30182384
N-[4-(benzenesulfonyl)-1,3-thiazol-2-yl]-2-hydroxybenzamide
CID 50905290
2,3-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 37019052
2,4-diamino-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 61089683
ethyl 2-[(1-methylindole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 71702427
[2-methyl-6-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoyl]phenyl] propanoate
CID 59581634

Frequently Asked Questions

What is the IUPAC name of [2,3-dimethyl-6-[(4-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate?
The IUPAC name of [2,3-dimethyl-6-[(4-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate (CID 87723986) is [2,3-dimethyl-6-[(4-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate.
What is the SMILES notation for [2,3-dimethyl-6-[(4-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate?
The canonical SMILES for [2,3-dimethyl-6-[(4-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate is CC(=O)Oc1c(C(=O)Nc2nc(S(C)(=O)=O)cs2)ccc(C)c1C.
What is the InChIKey of [2,3-dimethyl-6-[(4-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate?
The InChIKey is XIRUWXCTPNNTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5S2/c1-8-5-6-11(13(9(8)2)22-10(3)18)14(19)17-15-16-12(7-23-15)24(4,20)21/h5-7H,1-4H3,(H,16,17,19).
What are the key properties of [2,3-dimethyl-6-[(4-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate?
[2,3-dimethyl-6-[(4-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate has a molecular weight of 368.44 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-dimethyl-6-[(4-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate is sourced from PubChem (CID 87723986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).