N-(4,5-dihydro-1,3-thiazol-2-yl)-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide

C21H20N6O4S2 — CID 23076029

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2ncc(C(=O)NC3=NCCS3)nc2OCc2cccnc2)cc1
InChIInChI=1S/C21H20N6O4S2/c1-14-4-6-16(7-5-14)33(29,30)27-18-20(31-13-15-3-2-8-22-11-15)25-17(12-24-18)19(28)26-21-23-9-10-32-21/h2-8,11-12H,9-10,13H2,1H3,(H,24,27)(H,23,26,28)
InChIKeyHVVNXTJMHUQBBN-UHFFFAOYSA-N
MW484.56 g/mol
LogP2.39
Rot. Bonds7

About N-(4,5-dihydro-1,3-thiazol-2-yl)-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide (PubChem CID 23076029) has the molecular formula C21H20N6O4S2 and a molecular weight of 484.56 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide
PubChem CID23076029
Molecular FormulaC21H20N6O4S2
Molecular Weight484.56 g/mol
Exact Mass484.10
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2ncc(C(=O)NC3=NCCS3)nc2OCc2cccnc2)cc1
InChIInChI=1S/C21H20N6O4S2/c1-14-4-6-16(7-5-14)33(29,30)27-18-20(31-13-15-3-2-8-22-11-15)25-17(12-24-18)19(28)26-21-23-9-10-32-21/h2-8,11-12H,9-10,13H2,1H3,(H,24,27)(H,23,26,28)
InChIKeyHVVNXTJMHUQBBN-UHFFFAOYSA-N
XLogP2.39
TPSA135.53 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

3-amino-N-(2-methoxy-3-pyridinyl)-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide
CID 130206380
N-(2-fluoroethyl)-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide
CID 23076041
5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide
CID 23076159
4-methyl-N-[5-(2-methylsulfanylphenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide
CID 23075715
4-methyl-N-[5-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide
CID 23075719
4-methyl-N-[5-(3-methylpiperidine-1-carbonyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide
CID 23075725
N-butyl-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide
CID 23075727
4-methyl-N-[5-(morpholine-4-carbonyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide
CID 23075738
N-(2-methoxyethyl)-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide
CID 23075745
N-[5-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide
CID 23075753
5-[(4-methylphenyl)sulfonylamino]-N-propan-2-yl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide
CID 23075756
N-methyl-5-[(4-methylphenyl)sulfonylamino]-N-propan-2-yl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide
CID 23075782

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide (CID 23076029) is N-(4,5-dihydro-1,3-thiazol-2-yl)-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide is Cc1ccc(S(=O)(=O)Nc2ncc(C(=O)NC3=NCCS3)nc2OCc2cccnc2)cc1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide?
The InChIKey is HVVNXTJMHUQBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O4S2/c1-14-4-6-16(7-5-14)33(29,30)27-18-20(31-13-15-3-2-8-22-11-15)25-17(12-24-18)19(28)26-21-23-9-10-32-21/h2-8,11-12H,9-10,13H2,1H3,(H,24,27)(H,23,26,28).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide has a molecular weight of 484.56 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide is sourced from PubChem (CID 23076029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).