2-(2-fluorophenyl)ethyl N-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]carbamate

C19H16FN3O3S — CID 6734096

IUPAC2-(2-fluorophenyl)ethyl N-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]carbamate
SMILESO=C(NNC(=O)c1csc(-c2ccccc2)n1)OCCc1ccccc1F
InChIInChI=1S/C19H16FN3O3S/c20-15-9-5-4-6-13(15)10-11-26-19(25)23-22-17(24)16-12-27-18(21-16)14-7-2-1-3-8-14/h1-9,12H,10-11H2,(H,22,24)(H,23,25)
InChIKeyZOJWWOILVXUPDW-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.56
Rot. Bonds5

About 2-(2-fluorophenyl)ethyl N-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]carbamate

2-(2-fluorophenyl)ethyl N-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]carbamate (PubChem CID 6734096) has the molecular formula C19H16FN3O3S and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-(2-fluorophenyl)ethyl N-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]carbamate.

Molecular Properties

Compound Name2-(2-fluorophenyl)ethyl N-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]carbamate
PubChem CID6734096
Molecular FormulaC19H16FN3O3S
Molecular Weight385.42 g/mol
Exact Mass385.09
IUPAC Name2-(2-fluorophenyl)ethyl N-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]carbamate
SMILESO=C(NNC(=O)c1csc(-c2ccccc2)n1)OCCc1ccccc1F
InChIInChI=1S/C19H16FN3O3S/c20-15-9-5-4-6-13(15)10-11-26-19(25)23-22-17(24)16-12-27-18(21-16)14-7-2-1-3-8-14/h1-9,12H,10-11H2,(H,22,24)(H,23,25)
InChIKeyZOJWWOILVXUPDW-UHFFFAOYSA-N
XLogP3.56
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)ethyl N-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]carbamate?
The IUPAC name of 2-(2-fluorophenyl)ethyl N-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]carbamate (CID 6734096) is 2-(2-fluorophenyl)ethyl N-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]carbamate.
What is the SMILES notation for 2-(2-fluorophenyl)ethyl N-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]carbamate?
The canonical SMILES for 2-(2-fluorophenyl)ethyl N-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]carbamate is O=C(NNC(=O)c1csc(-c2ccccc2)n1)OCCc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)ethyl N-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]carbamate?
The InChIKey is ZOJWWOILVXUPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3S/c20-15-9-5-4-6-13(15)10-11-26-19(25)23-22-17(24)16-12-27-18(21-16)14-7-2-1-3-8-14/h1-9,12H,10-11H2,(H,22,24)(H,23,25).
What are the key properties of 2-(2-fluorophenyl)ethyl N-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]carbamate?
2-(2-fluorophenyl)ethyl N-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]carbamate has a molecular weight of 385.42 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)ethyl N-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]carbamate is sourced from PubChem (CID 6734096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).