[2-[(5-amino-1,3-thiazol-2-yl)carbamoyl]phenyl] 2-methylpropyl carbonate

C15H17N3O4S — CID 146916166

IUPAC[2-[(5-amino-1,3-thiazol-2-yl)carbamoyl]phenyl] 2-methylpropyl carbonate
SMILESCC(C)COC(=O)Oc1ccccc1C(=O)Nc1ncc(N)s1
InChIInChI=1S/C15H17N3O4S/c1-9(2)8-21-15(20)22-11-6-4-3-5-10(11)13(19)18-14-17-7-12(16)23-14/h3-7,9H,8,16H2,1-2H3,(H,17,18,19)
InChIKeyACGPWMOVYINUPT-UHFFFAOYSA-N
MW335.39 g/mol
LogP3.15
Rot. Bonds5

About [2-[(5-amino-1,3-thiazol-2-yl)carbamoyl]phenyl] 2-methylpropyl carbonate

[2-[(5-amino-1,3-thiazol-2-yl)carbamoyl]phenyl] 2-methylpropyl carbonate (PubChem CID 146916166) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is [2-[(5-amino-1,3-thiazol-2-yl)carbamoyl]phenyl] 2-methylpropyl carbonate.

Molecular Properties

Compound Name[2-[(5-amino-1,3-thiazol-2-yl)carbamoyl]phenyl] 2-methylpropyl carbonate
PubChem CID146916166
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC Name[2-[(5-amino-1,3-thiazol-2-yl)carbamoyl]phenyl] 2-methylpropyl carbonate
SMILESCC(C)COC(=O)Oc1ccccc1C(=O)Nc1ncc(N)s1
InChIInChI=1S/C15H17N3O4S/c1-9(2)8-21-15(20)22-11-6-4-3-5-10(11)13(19)18-14-17-7-12(16)23-14/h3-7,9H,8,16H2,1-2H3,(H,17,18,19)
InChIKeyACGPWMOVYINUPT-UHFFFAOYSA-N
XLogP3.15
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(5-amino-1,3-thiazol-2-yl)benzamide
CID 166871884
ethyl [2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] carbonate
CID 50908054
hydroxy-oxo-[2-[(2-propanoyloxybenzoyl)amino]-1,3-thiazol-5-yl]azanium
CID 153438149
[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] (2S,3S)-2-amino-3-methylpentanoate;hydrochloride
CID 135262790
propan-2-yl [2-[(5-pyrimidin-2-ylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] carbonate
CID 56970918
2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 803477
[2-[(5-amino-1,3-thiazol-2-yl)carbamoyl]-6-(butanoylamino)phenyl] butanoate
CID 166873078
methyl 2-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoate
CID 22170596
[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] 2-amino-3,3-dimethylbutanoate
CID 131985850
N-[5-(2-hydroxyethyl)-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 167969899
2-(2-amino-2-oxoethoxy)-N-(5-tert-butyl-1,3-thiazol-2-yl)benzamide
CID 167804221
[2-[(5-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] 2,2-dimethylpropanoate
CID 25185569

Frequently Asked Questions

What is the IUPAC name of [2-[(5-amino-1,3-thiazol-2-yl)carbamoyl]phenyl] 2-methylpropyl carbonate?
The IUPAC name of [2-[(5-amino-1,3-thiazol-2-yl)carbamoyl]phenyl] 2-methylpropyl carbonate (CID 146916166) is [2-[(5-amino-1,3-thiazol-2-yl)carbamoyl]phenyl] 2-methylpropyl carbonate.
What is the SMILES notation for [2-[(5-amino-1,3-thiazol-2-yl)carbamoyl]phenyl] 2-methylpropyl carbonate?
The canonical SMILES for [2-[(5-amino-1,3-thiazol-2-yl)carbamoyl]phenyl] 2-methylpropyl carbonate is CC(C)COC(=O)Oc1ccccc1C(=O)Nc1ncc(N)s1.
What is the InChIKey of [2-[(5-amino-1,3-thiazol-2-yl)carbamoyl]phenyl] 2-methylpropyl carbonate?
The InChIKey is ACGPWMOVYINUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-9(2)8-21-15(20)22-11-6-4-3-5-10(11)13(19)18-14-17-7-12(16)23-14/h3-7,9H,8,16H2,1-2H3,(H,17,18,19).
What are the key properties of [2-[(5-amino-1,3-thiazol-2-yl)carbamoyl]phenyl] 2-methylpropyl carbonate?
[2-[(5-amino-1,3-thiazol-2-yl)carbamoyl]phenyl] 2-methylpropyl carbonate has a molecular weight of 335.39 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-amino-1,3-thiazol-2-yl)carbamoyl]phenyl] 2-methylpropyl carbonate is sourced from PubChem (CID 146916166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).