3-[4-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide

C23H16N8OS — CID 90157733

IUPAC3-[4-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide
SMILESCN(C(=O)c1cn2c(-c3ccc(-c4nnc(N)s4)cc3)cnc2cn1)c1ccc(C#N)cc1
InChIInChI=1S/C23H16N8OS/c1-30(17-8-2-14(10-24)3-9-17)22(32)18-13-31-19(11-27-20(31)12-26-18)15-4-6-16(7-5-15)21-28-29-23(25)33-21/h2-9,11-13H,1H3,(H2,25,29)
InChIKeyKHDKYBZVFJSCMX-UHFFFAOYSA-N
MW452.50 g/mol
LogP3.65
Rot. Bonds4

About 3-[4-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide

3-[4-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide (PubChem CID 90157733) has the molecular formula C23H16N8OS and a molecular weight of 452.50 g/mol. Its IUPAC name is 3-[4-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name3-[4-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide
PubChem CID90157733
Molecular FormulaC23H16N8OS
Molecular Weight452.50 g/mol
Exact Mass452.12
IUPAC Name3-[4-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide
SMILESCN(C(=O)c1cn2c(-c3ccc(-c4nnc(N)s4)cc3)cnc2cn1)c1ccc(C#N)cc1
InChIInChI=1S/C23H16N8OS/c1-30(17-8-2-14(10-24)3-9-17)22(32)18-13-31-19(11-27-20(31)12-26-18)15-4-6-16(7-5-15)21-28-29-23(25)33-21/h2-9,11-13H,1H3,(H2,25,29)
InChIKeyKHDKYBZVFJSCMX-UHFFFAOYSA-N
XLogP3.65
TPSA126.09 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.50
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide?
The IUPAC name of 3-[4-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide (CID 90157733) is 3-[4-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide.
What is the SMILES notation for 3-[4-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide?
The canonical SMILES for 3-[4-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide is CN(C(=O)c1cn2c(-c3ccc(-c4nnc(N)s4)cc3)cnc2cn1)c1ccc(C#N)cc1.
What is the InChIKey of 3-[4-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is KHDKYBZVFJSCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N8OS/c1-30(17-8-2-14(10-24)3-9-17)22(32)18-13-31-19(11-27-20(31)12-26-18)15-4-6-16(7-5-15)21-28-29-23(25)33-21/h2-9,11-13H,1H3,(H2,25,29).
What are the key properties of 3-[4-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide?
3-[4-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 452.50 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 90157733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).