4-methyl-2-[(4-methylphenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,3-thiazole-5-carboxamide

C23H21N5O4S2 — CID 28936138

IUPAC4-methyl-2-[(4-methylphenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(OCc2nc(C)c(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)s2)cc1
InChIInChI=1S/C23H21N5O4S2/c1-15-4-8-18(9-5-15)32-14-20-26-16(2)21(33-20)22(29)27-17-6-10-19(11-7-17)34(30,31)28-23-24-12-3-13-25-23/h3-13H,14H2,1-2H3,(H,27,29)(H,24,25,28)
InChIKeyDBXPXYPYPAIKLE-UHFFFAOYSA-N
MW495.59 g/mol
LogP4.18
Rot. Bonds8

About 4-methyl-2-[(4-methylphenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,3-thiazole-5-carboxamide

4-methyl-2-[(4-methylphenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 28936138) has the molecular formula C23H21N5O4S2 and a molecular weight of 495.59 g/mol. Its IUPAC name is 4-methyl-2-[(4-methylphenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-[(4-methylphenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID28936138
Molecular FormulaC23H21N5O4S2
Molecular Weight495.59 g/mol
Exact Mass495.10
IUPAC Name4-methyl-2-[(4-methylphenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(OCc2nc(C)c(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)s2)cc1
InChIInChI=1S/C23H21N5O4S2/c1-15-4-8-18(9-5-15)32-14-20-26-16(2)21(33-20)22(29)27-17-6-10-19(11-7-17)34(30,31)28-23-24-12-3-13-25-23/h3-13H,14H2,1-2H3,(H,27,29)(H,24,25,28)
InChIKeyDBXPXYPYPAIKLE-UHFFFAOYSA-N
XLogP4.18
TPSA123.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.59
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3,5-dimethylphenyl)-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 50753382
N-(4-methoxyphenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28935560
N-(4-bromophenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28935655
N-(4-fluorophenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 50753451
2-(benzenesulfonamido)-N-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16828747
5-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiophene-2-carboxamide
CID 26912608
3,5-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 2597997
N-(3,5-difluorophenyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 24626182
2-(4-methoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 2597985
4-methyl-2-[(3-methylphenoxy)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 46741080
2-(4-methylphenyl)sulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 6493238
4-methyl-2-[(4-methylphenoxy)methyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 30587985

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(4-methylphenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-[(4-methylphenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,3-thiazole-5-carboxamide (CID 28936138) is 4-methyl-2-[(4-methylphenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-[(4-methylphenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-[(4-methylphenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,3-thiazole-5-carboxamide is Cc1ccc(OCc2nc(C)c(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)s2)cc1.
What is the InChIKey of 4-methyl-2-[(4-methylphenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is DBXPXYPYPAIKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O4S2/c1-15-4-8-18(9-5-15)32-14-20-26-16(2)21(33-20)22(29)27-17-6-10-19(11-7-17)34(30,31)28-23-24-12-3-13-25-23/h3-13H,14H2,1-2H3,(H,27,29)(H,24,25,28).
What are the key properties of 4-methyl-2-[(4-methylphenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,3-thiazole-5-carboxamide?
4-methyl-2-[(4-methylphenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 495.59 g/mol, XLogP of 4.18, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(4-methylphenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 28936138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).