N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyrazin-2-ylphenyl)acetamide

C17H17N5O3S2 — CID 21051367

IUPACN-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyrazin-2-ylphenyl)acetamide
SMILESCc1nc(N(C)C(=O)Cc2ccc(-c3cnccn3)cc2)sc1S(N)(=O)=O
InChIInChI=1S/C17H17N5O3S2/c1-11-16(27(18,24)25)26-17(21-11)22(2)15(23)9-12-3-5-13(6-4-12)14-10-19-7-8-20-14/h3-8,10H,9H2,1-2H3,(H2,18,24,25)
InChIKeyYQWHFXCPAHGMKM-UHFFFAOYSA-N
MW403.49 g/mol
LogP1.76
Rot. Bonds5

About N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyrazin-2-ylphenyl)acetamide

N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyrazin-2-ylphenyl)acetamide (PubChem CID 21051367) has the molecular formula C17H17N5O3S2 and a molecular weight of 403.49 g/mol. Its IUPAC name is N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyrazin-2-ylphenyl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyrazin-2-ylphenyl)acetamide
PubChem CID21051367
Molecular FormulaC17H17N5O3S2
Molecular Weight403.49 g/mol
Exact Mass403.08
IUPAC NameN-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyrazin-2-ylphenyl)acetamide
SMILESCc1nc(N(C)C(=O)Cc2ccc(-c3cnccn3)cc2)sc1S(N)(=O)=O
InChIInChI=1S/C17H17N5O3S2/c1-11-16(27(18,24)25)26-17(21-11)22(2)15(23)9-12-3-5-13(6-4-12)14-10-19-7-8-20-14/h3-8,10H,9H2,1-2H3,(H2,18,24,25)
InChIKeyYQWHFXCPAHGMKM-UHFFFAOYSA-N
XLogP1.76
TPSA119.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyrazin-2-ylphenyl)acetamide?
The IUPAC name of N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyrazin-2-ylphenyl)acetamide (CID 21051367) is N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyrazin-2-ylphenyl)acetamide.
What is the SMILES notation for N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyrazin-2-ylphenyl)acetamide?
The canonical SMILES for N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyrazin-2-ylphenyl)acetamide is Cc1nc(N(C)C(=O)Cc2ccc(-c3cnccn3)cc2)sc1S(N)(=O)=O.
What is the InChIKey of N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyrazin-2-ylphenyl)acetamide?
The InChIKey is YQWHFXCPAHGMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3S2/c1-11-16(27(18,24)25)26-17(21-11)22(2)15(23)9-12-3-5-13(6-4-12)14-10-19-7-8-20-14/h3-8,10H,9H2,1-2H3,(H2,18,24,25).
What are the key properties of N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyrazin-2-ylphenyl)acetamide?
N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyrazin-2-ylphenyl)acetamide has a molecular weight of 403.49 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyrazin-2-ylphenyl)acetamide is sourced from PubChem (CID 21051367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).