tert-butyl N-(4-carbamoyloxy-2,6-difluorophenyl)sulfonyl-N-(1,3-thiazol-4-yl)carbamate

C15H15F2N3O6S2 — CID 174982387

IUPACtert-butyl N-(4-carbamoyloxy-2,6-difluorophenyl)sulfonyl-N-(1,3-thiazol-4-yl)carbamate
SMILESCC(C)(C)OC(=O)N(c1cscn1)S(=O)(=O)c1c(F)cc(OC(N)=O)cc1F
InChIInChI=1S/C15H15F2N3O6S2/c1-15(2,3)26-14(22)20(11-6-27-7-19-11)28(23,24)12-9(16)4-8(5-10(12)17)25-13(18)21/h4-7H,1-3H3,(H2,18,21)
InChIKeyXPHABJBRJWNIFS-UHFFFAOYSA-N
MW435.43 g/mol
LogP3.01
Rot. Bonds4

About tert-butyl N-(4-carbamoyloxy-2,6-difluorophenyl)sulfonyl-N-(1,3-thiazol-4-yl)carbamate

tert-butyl N-(4-carbamoyloxy-2,6-difluorophenyl)sulfonyl-N-(1,3-thiazol-4-yl)carbamate (PubChem CID 174982387) has the molecular formula C15H15F2N3O6S2 and a molecular weight of 435.43 g/mol. Its IUPAC name is tert-butyl N-(4-carbamoyloxy-2,6-difluorophenyl)sulfonyl-N-(1,3-thiazol-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-carbamoyloxy-2,6-difluorophenyl)sulfonyl-N-(1,3-thiazol-4-yl)carbamate
PubChem CID174982387
Molecular FormulaC15H15F2N3O6S2
Molecular Weight435.43 g/mol
Exact Mass435.04
IUPAC Nametert-butyl N-(4-carbamoyloxy-2,6-difluorophenyl)sulfonyl-N-(1,3-thiazol-4-yl)carbamate
SMILESCC(C)(C)OC(=O)N(c1cscn1)S(=O)(=O)c1c(F)cc(OC(N)=O)cc1F
InChIInChI=1S/C15H15F2N3O6S2/c1-15(2,3)26-14(22)20(11-6-27-7-19-11)28(23,24)12-9(16)4-8(5-10(12)17)25-13(18)21/h4-7H,1-3H3,(H2,18,21)
InChIKeyXPHABJBRJWNIFS-UHFFFAOYSA-N
XLogP3.01
TPSA128.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl N-(4-carbamoyloxy-2,6-difluorophenyl)sulfonyl-N-(1,3-thiazol-4-yl)carbamate 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

tert-butyl N-[2,6-difluoro-4-[[2-fluoro-6-(hydroxymethyl)phenyl]methylcarbamoyloxy]phenyl]sulfonyl-N-(1,3-thiazol-4-yl)carbamate
CID 134586127
[2-(bromomethyl)-6-fluorophenyl]methyl-[3,5-difluoro-4-[(2-methylpropan-2-yl)oxycarbonyl-(1,3-thiazol-4-yl)sulfamoyl]phenyl]carbamic acid
CID 134585940
tert-butyl N-[4-[[2-chloro-6-(morpholin-4-ylmethyl)phenyl]methylamino]-2,6-difluorophenyl]sulfonyl-N-(1,3-thiazol-4-yl)carbamate
CID 134602328
tert-butyl N-[4-[[(R)-amino-(2-chloro-6-fluorophenyl)methyl]amino]-3-chloro-2-fluorophenyl]sulfonyl-N-(1,3-thiazol-4-yl)carbamate
CID 134601935
(4-azido-2,6-difluorophenyl)sulfonyl-(1,3-thiazol-4-yl)carbamic acid
CID 134586150
tert-butyl N-[5-chloro-4-[(2-chloro-6-methylphenyl)methylamino]-2-fluorophenyl]sulfonyl-N-(1,3-thiazol-4-yl)carbamate
CID 134598706
tert-butyl N-[5-chloro-4-[[(1S)-1-(3-chloro-2-fluorophenyl)ethyl]amino]-2-fluorophenyl]sulfonyl-N-(1,3-thiazol-4-yl)carbamate
CID 134598618
tert-butyl N-[4-[[(R)-amino-(2,5-difluorophenyl)methyl]amino]-3-(trifluoromethyl)phenyl]sulfonyl-N-(1,3-thiazol-4-yl)carbamate
CID 134604791
tert-butyl N-[[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-3,4-dihydro-2H-chromen-7-yl]sulfonyl]-N-(1,3-thiazol-4-yl)carbamate
CID 140925058
2-methylpentan-2-yl N-[(5-chloro-6-fluoro-3-pyridinyl)sulfonyl]-N-(1,3-thiazol-4-yl)carbamate
CID 146439250
tert-butyl N-[4-[[2-[(dimethylamino)methyl]-6-fluorophenyl]methylamino]-2,3-difluorophenyl]sulfonyl-N-(1,3-thiazol-4-yl)carbamate
CID 155061420
tert-butyl N-[2,3-difluoro-4-[[6-fluoro-3-methyl-2-[[methyl(propan-2-yl)amino]methyl]phenyl]methylamino]phenyl]sulfonyl-N-(1,3-thiazol-4-yl)carbamate
CID 147041581

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-carbamoyloxy-2,6-difluorophenyl)sulfonyl-N-(1,3-thiazol-4-yl)carbamate?
The IUPAC name of tert-butyl N-(4-carbamoyloxy-2,6-difluorophenyl)sulfonyl-N-(1,3-thiazol-4-yl)carbamate (CID 174982387) is tert-butyl N-(4-carbamoyloxy-2,6-difluorophenyl)sulfonyl-N-(1,3-thiazol-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-carbamoyloxy-2,6-difluorophenyl)sulfonyl-N-(1,3-thiazol-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-carbamoyloxy-2,6-difluorophenyl)sulfonyl-N-(1,3-thiazol-4-yl)carbamate is CC(C)(C)OC(=O)N(c1cscn1)S(=O)(=O)c1c(F)cc(OC(N)=O)cc1F.
What is the InChIKey of tert-butyl N-(4-carbamoyloxy-2,6-difluorophenyl)sulfonyl-N-(1,3-thiazol-4-yl)carbamate?
The InChIKey is XPHABJBRJWNIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O6S2/c1-15(2,3)26-14(22)20(11-6-27-7-19-11)28(23,24)12-9(16)4-8(5-10(12)17)25-13(18)21/h4-7H,1-3H3,(H2,18,21).
What are the key properties of tert-butyl N-(4-carbamoyloxy-2,6-difluorophenyl)sulfonyl-N-(1,3-thiazol-4-yl)carbamate?
tert-butyl N-(4-carbamoyloxy-2,6-difluorophenyl)sulfonyl-N-(1,3-thiazol-4-yl)carbamate has a molecular weight of 435.43 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-carbamoyloxy-2,6-difluorophenyl)sulfonyl-N-(1,3-thiazol-4-yl)carbamate is sourced from PubChem (CID 174982387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).