(4-azido-2,6-difluorophenyl)sulfonyl-(1,3-thiazol-4-yl)carbamic acid

C10H5F2N5O4S2 — CID 134586150

IUPAC(4-azido-2,6-difluorophenyl)sulfonyl-(1,3-thiazol-4-yl)carbamic acid
SMILES[N-]=[N+]=Nc1cc(F)c(S(=O)(=O)N(C(=O)O)c2cscn2)c(F)c1
InChIInChI=1S/C10H5F2N5O4S2/c11-6-1-5(15-16-13)2-7(12)9(6)23(20,21)17(10(18)19)8-3-22-4-14-8/h1-4H,(H,18,19)
InChIKeyGUGQBAVZSKJDKT-UHFFFAOYSA-N
MW361.31 g/mol
LogP3.24
Rot. Bonds4

About (4-azido-2,6-difluorophenyl)sulfonyl-(1,3-thiazol-4-yl)carbamic acid

(4-azido-2,6-difluorophenyl)sulfonyl-(1,3-thiazol-4-yl)carbamic acid (PubChem CID 134586150) has the molecular formula C10H5F2N5O4S2 and a molecular weight of 361.31 g/mol. Its IUPAC name is (4-azido-2,6-difluorophenyl)sulfonyl-(1,3-thiazol-4-yl)carbamic acid.

Molecular Properties

Compound Name(4-azido-2,6-difluorophenyl)sulfonyl-(1,3-thiazol-4-yl)carbamic acid
PubChem CID134586150
Molecular FormulaC10H5F2N5O4S2
Molecular Weight361.31 g/mol
Exact Mass360.98
IUPAC Name(4-azido-2,6-difluorophenyl)sulfonyl-(1,3-thiazol-4-yl)carbamic acid
SMILES[N-]=[N+]=Nc1cc(F)c(S(=O)(=O)N(C(=O)O)c2cscn2)c(F)c1
InChIInChI=1S/C10H5F2N5O4S2/c11-6-1-5(15-16-13)2-7(12)9(6)23(20,21)17(10(18)19)8-3-22-4-14-8/h1-4H,(H,18,19)
InChIKeyGUGQBAVZSKJDKT-UHFFFAOYSA-N
XLogP3.24
TPSA136.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(4-carbamoyloxy-2,6-difluorophenyl)sulfonyl-N-(1,3-thiazol-4-yl)carbamate
CID 174982387
(5-bromo-4-methyl-2-pyridinyl)sulfonyl-(1,3-thiazol-4-yl)carbamic acid
CID 146421754
[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
[4-[[2-chloro-6-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenyl]methylamino]-2,6-difluorophenyl]sulfonyl-(1,3-thiazol-4-yl)carbamic acid
CID 134586553
[5-[1-(2-fluorophenyl)ethylamino]-6-methyl-2-pyridinyl]sulfonyl-(1,3-thiazol-4-yl)carbamic acid
CID 146425953
[3-chloro-4-[[(1S)-1-(2,6-difluorophenyl)ethyl]amino]-2-fluorophenyl]sulfonyl-(1,3-thiazol-4-yl)carbamic acid
CID 134585825
[4-[1-(3-bromophenyl)ethylamino]-5-chloro-2-fluorophenyl]sulfonyl-(1,3-thiazol-4-yl)carbamic acid
CID 134585667
[5-chloro-4-[1-[5-(difluoromethoxy)-2-fluorophenyl]ethylamino]-2-fluorophenyl]sulfonyl-(1,3-thiazol-4-yl)carbamic acid
CID 134586258
[5-chloro-4-[[6-chloro-4-(furan-3-yl)-3-pyridinyl]oxy]-2-fluorophenyl]sulfonyl-(1,3-thiazol-4-yl)carbamic acid
CID 90099860
[6-[[2-[[tert-butyl(methyl)amino]methyl]-6-fluorophenyl]methylamino]-5-methyl-3-pyridinyl]sulfonyl-(1,3-thiazol-4-yl)carbamic acid
CID 146426060
[4-methyl-5-[methyl-[(3S)-pyrrolidin-3-yl]amino]-2-pyridinyl]sulfonyl-(1,3-thiazol-4-yl)carbamic acid
CID 146421854
2-methylpentan-2-yl N-[(5-chloro-6-fluoro-3-pyridinyl)sulfonyl]-N-(1,3-thiazol-4-yl)carbamate
CID 146439250

Frequently Asked Questions

What is the IUPAC name of (4-azido-2,6-difluorophenyl)sulfonyl-(1,3-thiazol-4-yl)carbamic acid?
The IUPAC name of (4-azido-2,6-difluorophenyl)sulfonyl-(1,3-thiazol-4-yl)carbamic acid (CID 134586150) is (4-azido-2,6-difluorophenyl)sulfonyl-(1,3-thiazol-4-yl)carbamic acid.
What is the SMILES notation for (4-azido-2,6-difluorophenyl)sulfonyl-(1,3-thiazol-4-yl)carbamic acid?
The canonical SMILES for (4-azido-2,6-difluorophenyl)sulfonyl-(1,3-thiazol-4-yl)carbamic acid is [N-]=[N+]=Nc1cc(F)c(S(=O)(=O)N(C(=O)O)c2cscn2)c(F)c1.
What is the InChIKey of (4-azido-2,6-difluorophenyl)sulfonyl-(1,3-thiazol-4-yl)carbamic acid?
The InChIKey is GUGQBAVZSKJDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F2N5O4S2/c11-6-1-5(15-16-13)2-7(12)9(6)23(20,21)17(10(18)19)8-3-22-4-14-8/h1-4H,(H,18,19).
What are the key properties of (4-azido-2,6-difluorophenyl)sulfonyl-(1,3-thiazol-4-yl)carbamic acid?
(4-azido-2,6-difluorophenyl)sulfonyl-(1,3-thiazol-4-yl)carbamic acid has a molecular weight of 361.31 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-azido-2,6-difluorophenyl)sulfonyl-(1,3-thiazol-4-yl)carbamic acid is sourced from PubChem (CID 134586150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).