N-(4-ethylphenyl)-5-[(4-methyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)methyl]-1,3,4-thiadiazole-2-carboxamide

C20H22N6OS — CID 75393902

IUPACN-(4-ethylphenyl)-5-[(4-methyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCCc1ccc(NC(=O)c2nnc(CN3CCN(C)c4ncccc43)s2)cc1
InChIInChI=1S/C20H22N6OS/c1-3-14-6-8-15(9-7-14)22-19(27)20-24-23-17(28-20)13-26-12-11-25(2)18-16(26)5-4-10-21-18/h4-10H,3,11-13H2,1-2H3,(H,22,27)
InChIKeyCATBNVRRSACDPY-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.20
Rot. Bonds5

About N-(4-ethylphenyl)-5-[(4-methyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)methyl]-1,3,4-thiadiazole-2-carboxamide

N-(4-ethylphenyl)-5-[(4-methyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)methyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 75393902) has the molecular formula C20H22N6OS and a molecular weight of 394.50 g/mol. Its IUPAC name is N-(4-ethylphenyl)-5-[(4-methyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)methyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-5-[(4-methyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID75393902
Molecular FormulaC20H22N6OS
Molecular Weight394.50 g/mol
Exact Mass394.16
IUPAC NameN-(4-ethylphenyl)-5-[(4-methyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCCc1ccc(NC(=O)c2nnc(CN3CCN(C)c4ncccc43)s2)cc1
InChIInChI=1S/C20H22N6OS/c1-3-14-6-8-15(9-7-14)22-19(27)20-24-23-17(28-20)13-26-12-11-25(2)18-16(26)5-4-10-21-18/h4-10H,3,11-13H2,1-2H3,(H,22,27)
InChIKeyCATBNVRRSACDPY-UHFFFAOYSA-N
XLogP3.20
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-5-[(4-methyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-5-[(4-methyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)methyl]-1,3,4-thiadiazole-2-carboxamide (CID 75393902) is N-(4-ethylphenyl)-5-[(4-methyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)methyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-5-[(4-methyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-5-[(4-methyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)methyl]-1,3,4-thiadiazole-2-carboxamide is CCc1ccc(NC(=O)c2nnc(CN3CCN(C)c4ncccc43)s2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-5-[(4-methyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is CATBNVRRSACDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6OS/c1-3-14-6-8-15(9-7-14)22-19(27)20-24-23-17(28-20)13-26-12-11-25(2)18-16(26)5-4-10-21-18/h4-10H,3,11-13H2,1-2H3,(H,22,27).
What are the key properties of N-(4-ethylphenyl)-5-[(4-methyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
N-(4-ethylphenyl)-5-[(4-methyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)methyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-5-[(4-methyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)methyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 75393902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).