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

C16H17N5O3S2 — CID 504304

IUPACN-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyrazol-1-ylphenyl)acetamide
SMILESCc1nc(N(C)C(=O)Cc2ccc(-n3cccn3)cc2)sc1S(N)(=O)=O
InChIInChI=1S/C16H17N5O3S2/c1-11-15(26(17,23)24)25-16(19-11)20(2)14(22)10-12-4-6-13(7-5-12)21-9-3-8-18-21/h3-9H,10H2,1-2H3,(H2,17,23,24)
InChIKeyCQSIGYGAGJNSSS-UHFFFAOYSA-N
MW391.48 g/mol
LogP1.49
Rot. Bonds5

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

N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyrazol-1-ylphenyl)acetamide (PubChem CID 504304) has the molecular formula C16H17N5O3S2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyrazol-1-ylphenyl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyrazol-1-ylphenyl)acetamide
PubChem CID504304
Molecular FormulaC16H17N5O3S2
Molecular Weight391.48 g/mol
Exact Mass391.08
IUPAC NameN-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyrazol-1-ylphenyl)acetamide
SMILESCc1nc(N(C)C(=O)Cc2ccc(-n3cccn3)cc2)sc1S(N)(=O)=O
InChIInChI=1S/C16H17N5O3S2/c1-11-15(26(17,23)24)25-16(19-11)20(2)14(22)10-12-4-6-13(7-5-12)21-9-3-8-18-21/h3-9H,10H2,1-2H3,(H2,17,23,24)
InChIKeyCQSIGYGAGJNSSS-UHFFFAOYSA-N
XLogP1.49
TPSA111.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 51.49
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-pyrazol-1-ylphenyl)acetamide?
The IUPAC name of N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyrazol-1-ylphenyl)acetamide (CID 504304) is N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyrazol-1-ylphenyl)acetamide.
What is the SMILES notation for N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyrazol-1-ylphenyl)acetamide?
The canonical SMILES for N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyrazol-1-ylphenyl)acetamide is Cc1nc(N(C)C(=O)Cc2ccc(-n3cccn3)cc2)sc1S(N)(=O)=O.
What is the InChIKey of N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyrazol-1-ylphenyl)acetamide?
The InChIKey is CQSIGYGAGJNSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3S2/c1-11-15(26(17,23)24)25-16(19-11)20(2)14(22)10-12-4-6-13(7-5-12)21-9-3-8-18-21/h3-9H,10H2,1-2H3,(H2,17,23,24).
What are the key properties of N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyrazol-1-ylphenyl)acetamide?
N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyrazol-1-ylphenyl)acetamide has a molecular weight of 391.48 g/mol, XLogP of 1.49, 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-pyrazol-1-ylphenyl)acetamide is sourced from PubChem (CID 504304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).