N-[3,5-difluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-5-(4-fluorophenyl)-2-(methylamino)-1,3-thiazole-4-carboxamide

C24H18F3N5O3S — CID 164728543

IUPACN-[3,5-difluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-5-(4-fluorophenyl)-2-(methylamino)-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1cc(Oc2c(F)cc(NC(=O)c3nc(NC)sc3-c3ccc(F)cc3)cc2F)ccn1
InChIInChI=1S/C24H18F3N5O3S/c1-28-22(33)18-11-15(7-8-30-18)35-20-16(26)9-14(10-17(20)27)31-23(34)19-21(36-24(29-2)32-19)12-3-5-13(25)6-4-12/h3-11H,1-2H3,(H,28,33)(H,29,32)(H,31,34)
InChIKeyOLTJHAXQQYAFCH-UHFFFAOYSA-N
MW513.50 g/mol
LogP5.07
Rot. Bonds7

About N-[3,5-difluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-5-(4-fluorophenyl)-2-(methylamino)-1,3-thiazole-4-carboxamide

N-[3,5-difluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-5-(4-fluorophenyl)-2-(methylamino)-1,3-thiazole-4-carboxamide (PubChem CID 164728543) has the molecular formula C24H18F3N5O3S and a molecular weight of 513.50 g/mol. Its IUPAC name is N-[3,5-difluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-5-(4-fluorophenyl)-2-(methylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3,5-difluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-5-(4-fluorophenyl)-2-(methylamino)-1,3-thiazole-4-carboxamide
PubChem CID164728543
Molecular FormulaC24H18F3N5O3S
Molecular Weight513.50 g/mol
Exact Mass513.11
IUPAC NameN-[3,5-difluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-5-(4-fluorophenyl)-2-(methylamino)-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1cc(Oc2c(F)cc(NC(=O)c3nc(NC)sc3-c3ccc(F)cc3)cc2F)ccn1
InChIInChI=1S/C24H18F3N5O3S/c1-28-22(33)18-11-15(7-8-30-18)35-20-16(26)9-14(10-17(20)27)31-23(34)19-21(36-24(29-2)32-19)12-3-5-13(25)6-4-12/h3-11H,1-2H3,(H,28,33)(H,29,32)(H,31,34)
InChIKeyOLTJHAXQQYAFCH-UHFFFAOYSA-N
XLogP5.07
TPSA105.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.50
LogP ≤ 55.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide
CID 71609349
5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfinyl-1,3-oxazole-4-carboxamide
CID 71262703
4-[4-[(4-fluorophenyl)carbamothioylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 46842980
4-[4-[[2-ethyl-4-(4-fluorophenyl)-1H-imidazole-5-carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide
CID 165090348
4-[4-[[2-(1,1-difluoroethyl)-4-(4-fluorophenyl)-1H-imidazole-5-carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide
CID 90337814
4-(4-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyridine-2-carboxamide
CID 141417735
5-(4-methoxyphenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfanyl-1,3-oxazole-4-carboxamide
CID 164728530
4-[4-[(2,5-difluorophenyl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
CID 131953293
4-[4-[[(E)-3-(6-fluoro-1H-indol-3-yl)prop-2-enoyl]amino]phenoxy]-N-methylpyridine-2-carboxamide
CID 130248769
4-[4-[[(E)-3-(2,4-difluorophenyl)prop-2-enoyl]amino]phenoxy]-N-methylpyridine-2-carboxamide
CID 130247726
4-[4-[(3-fluorophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 131953290
N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 86648443

Frequently Asked Questions

What is the IUPAC name of N-[3,5-difluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-5-(4-fluorophenyl)-2-(methylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[3,5-difluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-5-(4-fluorophenyl)-2-(methylamino)-1,3-thiazole-4-carboxamide (CID 164728543) is N-[3,5-difluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-5-(4-fluorophenyl)-2-(methylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[3,5-difluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-5-(4-fluorophenyl)-2-(methylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[3,5-difluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-5-(4-fluorophenyl)-2-(methylamino)-1,3-thiazole-4-carboxamide is CNC(=O)c1cc(Oc2c(F)cc(NC(=O)c3nc(NC)sc3-c3ccc(F)cc3)cc2F)ccn1.
What is the InChIKey of N-[3,5-difluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-5-(4-fluorophenyl)-2-(methylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is OLTJHAXQQYAFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N5O3S/c1-28-22(33)18-11-15(7-8-30-18)35-20-16(26)9-14(10-17(20)27)31-23(34)19-21(36-24(29-2)32-19)12-3-5-13(25)6-4-12/h3-11H,1-2H3,(H,28,33)(H,29,32)(H,31,34).
What are the key properties of N-[3,5-difluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-5-(4-fluorophenyl)-2-(methylamino)-1,3-thiazole-4-carboxamide?
N-[3,5-difluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-5-(4-fluorophenyl)-2-(methylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 513.50 g/mol, XLogP of 5.07, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-difluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-5-(4-fluorophenyl)-2-(methylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 164728543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).