[2-[(4-propan-2-ylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate

C15H16N2O4S2 — CID 87424539

IUPAC[2-[(4-propan-2-ylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1C(=O)Nc1nc(S(=O)C(C)C)cs1
InChIInChI=1S/C15H16N2O4S2/c1-9(2)23(20)13-8-22-15(16-13)17-14(19)11-6-4-5-7-12(11)21-10(3)18/h4-9H,1-3H3,(H,16,17,19)
InChIKeyFYUZZMCJFVWDRG-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.84
Rot. Bonds5

About [2-[(4-propan-2-ylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate

[2-[(4-propan-2-ylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate (PubChem CID 87424539) has the molecular formula C15H16N2O4S2 and a molecular weight of 352.44 g/mol. Its IUPAC name is [2-[(4-propan-2-ylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[2-[(4-propan-2-ylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate
PubChem CID87424539
Molecular FormulaC15H16N2O4S2
Molecular Weight352.44 g/mol
Exact Mass352.06
IUPAC Name[2-[(4-propan-2-ylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1C(=O)Nc1nc(S(=O)C(C)C)cs1
InChIInChI=1S/C15H16N2O4S2/c1-9(2)23(20)13-8-22-15(16-13)17-14(19)11-6-4-5-7-12(11)21-10(3)18/h4-9H,1-3H3,(H,16,17,19)
InChIKeyFYUZZMCJFVWDRG-UHFFFAOYSA-N
XLogP2.84
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-[(4-propan-2-ylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] propanoate
CID 56968286
ethyl [2-[(4-sulfanyl-1,3-thiazol-2-yl)carbamoyl]phenyl] carbonate
CID 88570151
[2-[(2-propan-2-ylphenyl)carbamoyl]phenyl] acetate
CID 720313
(2-carbonochloridoylphenyl) acetate;dichloromethane;2-hydroxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide;4-(trifluoromethyl)-1,3-thiazol-2-amine;[2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate
CID 159481561
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methoxybenzamide
CID 32864791
[2-(methoxycarbamoyl)phenyl] acetate
CID 59130426
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 868787
[2-[(4-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] hexanoate
CID 57329900
N-[4-[4-[(2R)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 6552731
[2-(acetylcarbamoyl)phenyl] acetate
CID 12538006
[2-[(4-iodophenyl)carbamoyl]phenyl] acetate
CID 3361929
[2-[(2,2,2-trichloro-1-hydroxyethyl)carbamoyl]phenyl] acetate
CID 12922486

Frequently Asked Questions

What is the IUPAC name of [2-[(4-propan-2-ylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate?
The IUPAC name of [2-[(4-propan-2-ylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate (CID 87424539) is [2-[(4-propan-2-ylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate.
What is the SMILES notation for [2-[(4-propan-2-ylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate?
The canonical SMILES for [2-[(4-propan-2-ylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate is CC(=O)Oc1ccccc1C(=O)Nc1nc(S(=O)C(C)C)cs1.
What is the InChIKey of [2-[(4-propan-2-ylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate?
The InChIKey is FYUZZMCJFVWDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S2/c1-9(2)23(20)13-8-22-15(16-13)17-14(19)11-6-4-5-7-12(11)21-10(3)18/h4-9H,1-3H3,(H,16,17,19).
What are the key properties of [2-[(4-propan-2-ylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate?
[2-[(4-propan-2-ylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate has a molecular weight of 352.44 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-propan-2-ylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate is sourced from PubChem (CID 87424539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).