N-(4-carbamoyl-3-fluorophenyl)-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide

C20H15FN6O2S — CID 118284895

IUPACN-(4-carbamoyl-3-fluorophenyl)-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide
SMILESCc1nsc(Nc2cnc3ccccc3n2)c1C(=O)Nc1ccc(C(N)=O)c(F)c1
InChIInChI=1S/C20H15FN6O2S/c1-10-17(19(29)24-11-6-7-12(18(22)28)13(21)8-11)20(30-27-10)26-16-9-23-14-4-2-3-5-15(14)25-16/h2-9H,1H3,(H2,22,28)(H,24,29)(H,25,26)
InChIKeyXXDXEWAWHXUMMY-UHFFFAOYSA-N
MW422.45 g/mol
LogP3.63
Rot. Bonds5

About N-(4-carbamoyl-3-fluorophenyl)-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide

N-(4-carbamoyl-3-fluorophenyl)-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide (PubChem CID 118284895) has the molecular formula C20H15FN6O2S and a molecular weight of 422.45 g/mol. Its IUPAC name is N-(4-carbamoyl-3-fluorophenyl)-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoyl-3-fluorophenyl)-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide
PubChem CID118284895
Molecular FormulaC20H15FN6O2S
Molecular Weight422.45 g/mol
Exact Mass422.10
IUPAC NameN-(4-carbamoyl-3-fluorophenyl)-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide
SMILESCc1nsc(Nc2cnc3ccccc3n2)c1C(=O)Nc1ccc(C(N)=O)c(F)c1
InChIInChI=1S/C20H15FN6O2S/c1-10-17(19(29)24-11-6-7-12(18(22)28)13(21)8-11)20(30-27-10)26-16-9-23-14-4-2-3-5-15(14)25-16/h2-9H,1H3,(H2,22,28)(H,24,29)(H,25,26)
InChIKeyXXDXEWAWHXUMMY-UHFFFAOYSA-N
XLogP3.63
TPSA122.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carbonyl]amino]benzoic acid
CID 118279033
methyl 3-[[3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carbonyl]amino]benzoate
CID 118278653
N-[6-(2,4-difluorophenoxy)-3-pyridinyl]-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide
CID 90317760
3-methyl-N-(6-prop-2-enoxy-3-pyridinyl)-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide
CID 129059832
N-[3-(3-methoxypropylcarbamoyl)phenyl]-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide
CID 118284875
N-[3-[[1-(2,2-difluoroethyl)azetidin-3-yl]sulfonylamino]phenyl]-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide
CID 118285006
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide
CID 118284929
N-[3-[[1-(2-fluoroethyl)azetidin-3-yl]sulfonylamino]phenyl]-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide
CID 118278957
3-methyl-N-[3-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide
CID 118284736
propan-2-yl 4-[[5-[[3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carbonyl]amino]-2-pyridinyl]amino]piperidine-1-carboxylate
CID 144895112
N-[3-(3-acetamidopyrrolidine-1-carbonyl)phenyl]-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide
CID 118284889
3-methyl-5-(quinoxalin-2-ylamino)-N-[3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]sulfanylamino]phenyl]-1,2-thiazole-4-carboxamide
CID 144895106

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoyl-3-fluorophenyl)-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide?
The IUPAC name of N-(4-carbamoyl-3-fluorophenyl)-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide (CID 118284895) is N-(4-carbamoyl-3-fluorophenyl)-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-carbamoyl-3-fluorophenyl)-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide?
The canonical SMILES for N-(4-carbamoyl-3-fluorophenyl)-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide is Cc1nsc(Nc2cnc3ccccc3n2)c1C(=O)Nc1ccc(C(N)=O)c(F)c1.
What is the InChIKey of N-(4-carbamoyl-3-fluorophenyl)-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide?
The InChIKey is XXDXEWAWHXUMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN6O2S/c1-10-17(19(29)24-11-6-7-12(18(22)28)13(21)8-11)20(30-27-10)26-16-9-23-14-4-2-3-5-15(14)25-16/h2-9H,1H3,(H2,22,28)(H,24,29)(H,25,26).
What are the key properties of N-(4-carbamoyl-3-fluorophenyl)-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide?
N-(4-carbamoyl-3-fluorophenyl)-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide has a molecular weight of 422.45 g/mol, XLogP of 3.63, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoyl-3-fluorophenyl)-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 118284895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).