N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-6-(2-methoxyphenyl)-1,3-benzodioxole-5-carboxamide

C27H17N5O4S — CID 176511558

IUPACN-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-6-(2-methoxyphenyl)-1,3-benzodioxole-5-carboxamide
SMILESCOc1ccccc1-c1cc2c(cc1C(=O)Nc1nc3ncc(-c4ccc(C#N)cc4)nc3s1)OCO2
InChIInChI=1S/C27H17N5O4S/c1-34-21-5-3-2-4-17(21)18-10-22-23(36-14-35-22)11-19(18)25(33)32-27-31-24-26(37-27)30-20(13-29-24)16-8-6-15(12-28)7-9-16/h2-11,13H,14H2,1H3,(H,29,31,32,33)
InChIKeyLWEQFBZPFVFSIF-UHFFFAOYSA-N
MW507.53 g/mol
LogP5.28
Rot. Bonds5

About N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-6-(2-methoxyphenyl)-1,3-benzodioxole-5-carboxamide

N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-6-(2-methoxyphenyl)-1,3-benzodioxole-5-carboxamide (PubChem CID 176511558) has the molecular formula C27H17N5O4S and a molecular weight of 507.53 g/mol. Its IUPAC name is N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-6-(2-methoxyphenyl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-6-(2-methoxyphenyl)-1,3-benzodioxole-5-carboxamide
PubChem CID176511558
Molecular FormulaC27H17N5O4S
Molecular Weight507.53 g/mol
Exact Mass507.10
IUPAC NameN-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-6-(2-methoxyphenyl)-1,3-benzodioxole-5-carboxamide
SMILESCOc1ccccc1-c1cc2c(cc1C(=O)Nc1nc3ncc(-c4ccc(C#N)cc4)nc3s1)OCO2
InChIInChI=1S/C27H17N5O4S/c1-34-21-5-3-2-4-17(21)18-10-22-23(36-14-35-22)11-19(18)25(33)32-27-31-24-26(37-27)30-20(13-29-24)16-8-6-15(12-28)7-9-16/h2-11,13H,14H2,1H3,(H,29,31,32,33)
InChIKeyLWEQFBZPFVFSIF-UHFFFAOYSA-N
XLogP5.28
TPSA119.25 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.53
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 168984935
N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-2-(2-methoxyphenyl)pyridine-3-carboxamide
CID 168984835
N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-[2-methoxy-5-(trifluoromethyl)phenyl]-6-methylpyridine-3-carboxamide
CID 168984803
N-[6-(4-chlorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-5-(2-methoxyphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide
CID 177108921
4-(5-chloro-2-methoxyphenyl)-N-[6-(5-cyano-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-6-methylpyridine-3-carboxamide
CID 168984795
4-(5-cyano-2-methoxyphenyl)-N-[6-(5-cyclopropyl-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-6-methylpyridine-3-carboxamide
CID 168984906
N-(5-cyano-2-pyridinyl)-2,6-dimethoxybenzamide
CID 62354736
N-[5-[(4-cyanophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide
CID 175679881
N-(5-cyano-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 90603685
N-[5-(4-chlorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-(5-cyano-2-methoxyphenyl)-6-isocyanopyridine-3-carboxamide
CID 176607434
N-(6-chloro-[1,3]thiazolo[4,5-b]pyrazin-2-yl)-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide
CID 177237937
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2,5-dimethoxybenzamide
CID 86920255

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-6-(2-methoxyphenyl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-6-(2-methoxyphenyl)-1,3-benzodioxole-5-carboxamide (CID 176511558) is N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-6-(2-methoxyphenyl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-6-(2-methoxyphenyl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-6-(2-methoxyphenyl)-1,3-benzodioxole-5-carboxamide is COc1ccccc1-c1cc2c(cc1C(=O)Nc1nc3ncc(-c4ccc(C#N)cc4)nc3s1)OCO2.
What is the InChIKey of N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-6-(2-methoxyphenyl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is LWEQFBZPFVFSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17N5O4S/c1-34-21-5-3-2-4-17(21)18-10-22-23(36-14-35-22)11-19(18)25(33)32-27-31-24-26(37-27)30-20(13-29-24)16-8-6-15(12-28)7-9-16/h2-11,13H,14H2,1H3,(H,29,31,32,33).
What are the key properties of N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-6-(2-methoxyphenyl)-1,3-benzodioxole-5-carboxamide?
N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-6-(2-methoxyphenyl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 507.53 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-6-(2-methoxyphenyl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 176511558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).