[5-[1-(2-fluorophenyl)ethylamino]-6-methyl-2-pyridinyl]sulfonyl-(1,3-thiazol-4-yl)carbamic acid

C18H17FN4O4S2 — CID 146425953

IUPAC[5-[1-(2-fluorophenyl)ethylamino]-6-methyl-2-pyridinyl]sulfonyl-(1,3-thiazol-4-yl)carbamic acid
SMILESCc1nc(S(=O)(=O)N(C(=O)O)c2cscn2)ccc1NC(C)c1ccccc1F
InChIInChI=1S/C18H17FN4O4S2/c1-11(13-5-3-4-6-14(13)19)21-15-7-8-17(22-12(15)2)29(26,27)23(18(24)25)16-9-28-10-20-16/h3-11,21H,1-2H3,(H,24,25)
InChIKeyMGEVOSHJSWPPCE-UHFFFAOYSA-N
MW436.49 g/mol
LogP4.03
Rot. Bonds6

About [5-[1-(2-fluorophenyl)ethylamino]-6-methyl-2-pyridinyl]sulfonyl-(1,3-thiazol-4-yl)carbamic acid

[5-[1-(2-fluorophenyl)ethylamino]-6-methyl-2-pyridinyl]sulfonyl-(1,3-thiazol-4-yl)carbamic acid (PubChem CID 146425953) has the molecular formula C18H17FN4O4S2 and a molecular weight of 436.49 g/mol. Its IUPAC name is [5-[1-(2-fluorophenyl)ethylamino]-6-methyl-2-pyridinyl]sulfonyl-(1,3-thiazol-4-yl)carbamic acid.

Molecular Properties

Compound Name[5-[1-(2-fluorophenyl)ethylamino]-6-methyl-2-pyridinyl]sulfonyl-(1,3-thiazol-4-yl)carbamic acid
PubChem CID146425953
Molecular FormulaC18H17FN4O4S2
Molecular Weight436.49 g/mol
Exact Mass436.07
IUPAC Name[5-[1-(2-fluorophenyl)ethylamino]-6-methyl-2-pyridinyl]sulfonyl-(1,3-thiazol-4-yl)carbamic acid
SMILESCc1nc(S(=O)(=O)N(C(=O)O)c2cscn2)ccc1NC(C)c1ccccc1F
InChIInChI=1S/C18H17FN4O4S2/c1-11(13-5-3-4-6-14(13)19)21-15-7-8-17(22-12(15)2)29(26,27)23(18(24)25)16-9-28-10-20-16/h3-11,21H,1-2H3,(H,24,25)
InChIKeyMGEVOSHJSWPPCE-UHFFFAOYSA-N
XLogP4.03
TPSA112.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[3-chloro-4-[[(1S)-1-(2,6-difluorophenyl)ethyl]amino]-2-fluorophenyl]sulfonyl-(1,3-thiazol-4-yl)carbamic acid
CID 134585825
[5-chloro-4-[1-[5-(difluoromethoxy)-2-fluorophenyl]ethylamino]-2-fluorophenyl]sulfonyl-(1,3-thiazol-4-yl)carbamic acid
CID 134586258
[4-[1-(3-bromophenyl)ethylamino]-5-chloro-2-fluorophenyl]sulfonyl-(1,3-thiazol-4-yl)carbamic acid
CID 134585667
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
[5-chloro-4-[1-[5-(2-ethoxyethenyl)-2-fluorophenyl]ethylamino]-2-fluorophenyl]sulfonyl-(1,3-thiazol-4-yl)carbamic acid
CID 134586468
(5-bromo-4-methyl-2-pyridinyl)sulfonyl-(1,3-thiazol-4-yl)carbamic acid
CID 146421754
2-bromo-6-[1-(2-fluorophenyl)ethylamino]benzoic acid
CID 114887955
2,6-difluoro-4-[1-(2-fluorophenyl)ethylamino]-N-(1,3-thiazol-4-yl)benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 134586293
2,3-difluoro-4-[1-(2-fluorophenyl)ethylamino]benzoic acid
CID 79834697
5-fluoro-2-[1-(2-fluorophenyl)ethylamino]benzoic acid
CID 63673161
3-fluoro-4-[1-(2-fluorophenyl)ethylamino]benzoic acid
CID 62710157
[2,3-difluoro-4-[[6-fluoro-3-methoxy-2-[[methyl(propan-2-yl)amino]methyl]phenyl]methylamino]phenyl]sulfonyl-(1,3-thiazol-4-yl)carbamic acid
CID 155051068

Frequently Asked Questions

What is the IUPAC name of [5-[1-(2-fluorophenyl)ethylamino]-6-methyl-2-pyridinyl]sulfonyl-(1,3-thiazol-4-yl)carbamic acid?
The IUPAC name of [5-[1-(2-fluorophenyl)ethylamino]-6-methyl-2-pyridinyl]sulfonyl-(1,3-thiazol-4-yl)carbamic acid (CID 146425953) is [5-[1-(2-fluorophenyl)ethylamino]-6-methyl-2-pyridinyl]sulfonyl-(1,3-thiazol-4-yl)carbamic acid.
What is the SMILES notation for [5-[1-(2-fluorophenyl)ethylamino]-6-methyl-2-pyridinyl]sulfonyl-(1,3-thiazol-4-yl)carbamic acid?
The canonical SMILES for [5-[1-(2-fluorophenyl)ethylamino]-6-methyl-2-pyridinyl]sulfonyl-(1,3-thiazol-4-yl)carbamic acid is Cc1nc(S(=O)(=O)N(C(=O)O)c2cscn2)ccc1NC(C)c1ccccc1F.
What is the InChIKey of [5-[1-(2-fluorophenyl)ethylamino]-6-methyl-2-pyridinyl]sulfonyl-(1,3-thiazol-4-yl)carbamic acid?
The InChIKey is MGEVOSHJSWPPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O4S2/c1-11(13-5-3-4-6-14(13)19)21-15-7-8-17(22-12(15)2)29(26,27)23(18(24)25)16-9-28-10-20-16/h3-11,21H,1-2H3,(H,24,25).
What are the key properties of [5-[1-(2-fluorophenyl)ethylamino]-6-methyl-2-pyridinyl]sulfonyl-(1,3-thiazol-4-yl)carbamic acid?
[5-[1-(2-fluorophenyl)ethylamino]-6-methyl-2-pyridinyl]sulfonyl-(1,3-thiazol-4-yl)carbamic acid has a molecular weight of 436.49 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-(2-fluorophenyl)ethylamino]-6-methyl-2-pyridinyl]sulfonyl-(1,3-thiazol-4-yl)carbamic acid is sourced from PubChem (CID 146425953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).