[(2R)-oxolan-2-yl] N-[[5-fluoro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate

C18H20F2N4O4S — CID 130221833

IUPAC[(2R)-oxolan-2-yl] N-[[5-fluoro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate
SMILESCN(Cc1nc(NC(=O)NCc2cccc(F)c2)sc1F)C(=O)O[C@@H]1CCCO1
InChIInChI=1S/C18H20F2N4O4S/c1-24(18(26)28-14-6-3-7-27-14)10-13-15(20)29-17(22-13)23-16(25)21-9-11-4-2-5-12(19)8-11/h2,4-5,8,14H,3,6-7,9-10H2,1H3,(H2,21,22,23,25)/t14-/m1/s1
InChIKeyHLMYECDNJDDRIO-CQSZACIVSA-N
MW426.45 g/mol
LogP3.45
Rot. Bonds6

About [(2R)-oxolan-2-yl] N-[[5-fluoro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate

[(2R)-oxolan-2-yl] N-[[5-fluoro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate (PubChem CID 130221833) has the molecular formula C18H20F2N4O4S and a molecular weight of 426.45 g/mol. Its IUPAC name is [(2R)-oxolan-2-yl] N-[[5-fluoro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate.

Molecular Properties

Compound Name[(2R)-oxolan-2-yl] N-[[5-fluoro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate
PubChem CID130221833
Molecular FormulaC18H20F2N4O4S
Molecular Weight426.45 g/mol
Exact Mass426.12
IUPAC Name[(2R)-oxolan-2-yl] N-[[5-fluoro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate
SMILESCN(Cc1nc(NC(=O)NCc2cccc(F)c2)sc1F)C(=O)O[C@@H]1CCCO1
InChIInChI=1S/C18H20F2N4O4S/c1-24(18(26)28-14-6-3-7-27-14)10-13-15(20)29-17(22-13)23-16(25)21-9-11-4-2-5-12(19)8-11/h2,4-5,8,14H,3,6-7,9-10H2,1H3,(H2,21,22,23,25)/t14-/m1/s1
InChIKeyHLMYECDNJDDRIO-CQSZACIVSA-N
XLogP3.45
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.45
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(2R)-oxolan-2-yl] N-[[5-fluoro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-[[5-[(3-fluorophenyl)methylcarbamoylamino]-1,2,4-thiadiazol-3-yl]methyl]-N-methyloxolane-2-carboxamide
CID 66662835
N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcyclopentanecarboxamide
CID 87095190
3-[(2R)-3-[[5-fluoro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl-methylamino]-2-methoxy-3-oxopropyl]-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methyl-5-(trifluoromethyl)furan-2-carboxamide
CID 130221926
N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylpyrrolidine-2-carboxamide
CID 87095634
1-[4-(1-aminoethyl)-5-fluoro-1,3-thiazol-2-yl]-3-[(3-fluorophenyl)methyl]urea
CID 91213016
thiadiazol-4-yl N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate
CID 130221863
2-[5-chloro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 87553230
N-[2-cyano-2-[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]ethyl]oxolane-2-carboxamide
CID 90818494
N-[[5-[(3-fluorophenyl)methylcarbamoylamino]-1,2,4-thiadiazol-3-yl]methyl]-2-methoxy-N-methylpropanamide
CID 66663019
(2R)-N-[[5-[(3-fluorophenyl)methylcarbamoylamino]-1,2,4-thiadiazol-3-yl]methyl]-2-methoxy-N-methylpropanamide
CID 66663018
N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-3-(methoxymethyl)oxolane-2-carboxamide
CID 91039775
N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,3-dimethylpyrazine-2-carboxamide
CID 25206964

Frequently Asked Questions

What is the IUPAC name of [(2R)-oxolan-2-yl] N-[[5-fluoro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate?
The IUPAC name of [(2R)-oxolan-2-yl] N-[[5-fluoro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate (CID 130221833) is [(2R)-oxolan-2-yl] N-[[5-fluoro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate.
What is the SMILES notation for [(2R)-oxolan-2-yl] N-[[5-fluoro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate?
The canonical SMILES for [(2R)-oxolan-2-yl] N-[[5-fluoro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate is CN(Cc1nc(NC(=O)NCc2cccc(F)c2)sc1F)C(=O)O[C@@H]1CCCO1.
What is the InChIKey of [(2R)-oxolan-2-yl] N-[[5-fluoro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate?
The InChIKey is HLMYECDNJDDRIO-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20F2N4O4S/c1-24(18(26)28-14-6-3-7-27-14)10-13-15(20)29-17(22-13)23-16(25)21-9-11-4-2-5-12(19)8-11/h2,4-5,8,14H,3,6-7,9-10H2,1H3,(H2,21,22,23,25)/t14-/m1/s1.
What are the key properties of [(2R)-oxolan-2-yl] N-[[5-fluoro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate?
[(2R)-oxolan-2-yl] N-[[5-fluoro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate has a molecular weight of 426.45 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-oxolan-2-yl] N-[[5-fluoro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate is sourced from PubChem (CID 130221833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).