[1-(3-fluorophenyl)-1-hydroxyethyl] N-tert-butyl-N-(1,3-thiazol-2-yl)carbamate

C16H19FN2O3S — CID 175093059

IUPAC[1-(3-fluorophenyl)-1-hydroxyethyl] N-tert-butyl-N-(1,3-thiazol-2-yl)carbamate
SMILESCC(O)(OC(=O)N(c1nccs1)C(C)(C)C)c1cccc(F)c1
InChIInChI=1S/C16H19FN2O3S/c1-15(2,3)19(13-18-8-9-23-13)14(20)22-16(4,21)11-6-5-7-12(17)10-11/h5-10,21H,1-4H3
InChIKeyQKKUFCWIEONJKR-UHFFFAOYSA-N
MW338.40 g/mol
LogP3.89
Rot. Bonds3

About [1-(3-fluorophenyl)-1-hydroxyethyl] N-tert-butyl-N-(1,3-thiazol-2-yl)carbamate

[1-(3-fluorophenyl)-1-hydroxyethyl] N-tert-butyl-N-(1,3-thiazol-2-yl)carbamate (PubChem CID 175093059) has the molecular formula C16H19FN2O3S and a molecular weight of 338.40 g/mol. Its IUPAC name is [1-(3-fluorophenyl)-1-hydroxyethyl] N-tert-butyl-N-(1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Name[1-(3-fluorophenyl)-1-hydroxyethyl] N-tert-butyl-N-(1,3-thiazol-2-yl)carbamate
PubChem CID175093059
Molecular FormulaC16H19FN2O3S
Molecular Weight338.40 g/mol
Exact Mass338.11
IUPAC Name[1-(3-fluorophenyl)-1-hydroxyethyl] N-tert-butyl-N-(1,3-thiazol-2-yl)carbamate
SMILESCC(O)(OC(=O)N(c1nccs1)C(C)(C)C)c1cccc(F)c1
InChIInChI=1S/C16H19FN2O3S/c1-15(2,3)19(13-18-8-9-23-13)14(20)22-16(4,21)11-6-5-7-12(17)10-11/h5-10,21H,1-4H3
InChIKeyQKKUFCWIEONJKR-UHFFFAOYSA-N
XLogP3.89
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(3-fluorophenoxy)-N-methyl-N-(1,3-thiazol-2-yl)acetamide
CID 110723399
2-(3-fluorophenyl)-2-hydroxypropanamide
CID 62213418
1-bromo-1-(3-fluorophenyl)ethanol
CID 143635660
(2R)-2-amino-2-(3-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 138393513
tert-butyl N-formyl-N-(1,3-thiazol-2-yl)carbamate
CID 141185862
N-tert-butyl-3-fluoro-4-hydroxy-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 59436535
(3S)-4,4,4-trifluoro-3-(3-fluorophenyl)-3-(nitromethyl)-1-(1,3-thiazol-2-yl)butan-1-one
CID 132511345
tert-butyl N-(4-bromo-3-fluorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)carbamate
CID 118522214
2-bromo-2-(3-fluorophenyl)propanoic acid
CID 67757500
(2S)-2-(3-fluorophenyl)-2-(methylamino)propanoic acid
CID 93279972
phenyl N-methyl-N-(1,3-thiazol-2-yl)carbamate
CID 110723371
methyl 2-amino-3-(3-fluorophenyl)-2,3-dimethylbutanoate
CID 115043081

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluorophenyl)-1-hydroxyethyl] N-tert-butyl-N-(1,3-thiazol-2-yl)carbamate?
The IUPAC name of [1-(3-fluorophenyl)-1-hydroxyethyl] N-tert-butyl-N-(1,3-thiazol-2-yl)carbamate (CID 175093059) is [1-(3-fluorophenyl)-1-hydroxyethyl] N-tert-butyl-N-(1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for [1-(3-fluorophenyl)-1-hydroxyethyl] N-tert-butyl-N-(1,3-thiazol-2-yl)carbamate?
The canonical SMILES for [1-(3-fluorophenyl)-1-hydroxyethyl] N-tert-butyl-N-(1,3-thiazol-2-yl)carbamate is CC(O)(OC(=O)N(c1nccs1)C(C)(C)C)c1cccc(F)c1.
What is the InChIKey of [1-(3-fluorophenyl)-1-hydroxyethyl] N-tert-butyl-N-(1,3-thiazol-2-yl)carbamate?
The InChIKey is QKKUFCWIEONJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O3S/c1-15(2,3)19(13-18-8-9-23-13)14(20)22-16(4,21)11-6-5-7-12(17)10-11/h5-10,21H,1-4H3.
What are the key properties of [1-(3-fluorophenyl)-1-hydroxyethyl] N-tert-butyl-N-(1,3-thiazol-2-yl)carbamate?
[1-(3-fluorophenyl)-1-hydroxyethyl] N-tert-butyl-N-(1,3-thiazol-2-yl)carbamate has a molecular weight of 338.40 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluorophenyl)-1-hydroxyethyl] N-tert-butyl-N-(1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 175093059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).