N-(4-acetylphenyl)-2-(4-butyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide

C22H26N4O2S — CID 23611564

IUPACN-(4-acetylphenyl)-2-(4-butyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCCCc1c(C)nn(-c2nc(C)c(C(=O)Nc3ccc(C(C)=O)cc3)s2)c1C
InChIInChI=1S/C22H26N4O2S/c1-6-7-8-19-13(2)25-26(15(19)4)22-23-14(3)20(29-22)21(28)24-18-11-9-17(10-12-18)16(5)27/h9-12H,6-8H2,1-5H3,(H,24,28)
InChIKeyYTYZKXIBLBVTDQ-UHFFFAOYSA-N
MW410.54 g/mol
LogP5.05
Rot. Bonds7

About N-(4-acetylphenyl)-2-(4-butyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide

N-(4-acetylphenyl)-2-(4-butyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 23611564) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(4-butyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(4-butyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID23611564
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC NameN-(4-acetylphenyl)-2-(4-butyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCCCc1c(C)nn(-c2nc(C)c(C(=O)Nc3ccc(C(C)=O)cc3)s2)c1C
InChIInChI=1S/C22H26N4O2S/c1-6-7-8-19-13(2)25-26(15(19)4)22-23-14(3)20(29-22)21(28)24-18-11-9-17(10-12-18)16(5)27/h9-12H,6-8H2,1-5H3,(H,24,28)
InChIKeyYTYZKXIBLBVTDQ-UHFFFAOYSA-N
XLogP5.05
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.54
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-acetylphenyl)-2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 23611669
2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-N-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 46263558
N-(4-acetylphenyl)-4-methyl-2-[5-methyl-4-(3-methylbutyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-5-carboxamide
CID 20898769
N-(3-acetylphenyl)-2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 23611507
N-(4-acetamidophenyl)-4-butyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 51054339
2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-N-(2,6-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 23611671
N-butyl-2-[4-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 23611611
2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-N-(2,3-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 46263568
2-butyl-N-[4-(methanesulfonamido)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 47031545
2-[4-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 23611606
N-(4-chlorophenyl)-2-[2-(3,5-dimethyl-4-pentylpyrazol-1-yl)-1,3-thiazol-4-yl]acetamide
CID 46269623
N-(4-butylphenyl)-2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxamide
CID 100773344

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(4-butyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-2-(4-butyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide (CID 23611564) is N-(4-acetylphenyl)-2-(4-butyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(4-butyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(4-butyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide is CCCCc1c(C)nn(-c2nc(C)c(C(=O)Nc3ccc(C(C)=O)cc3)s2)c1C.
What is the InChIKey of N-(4-acetylphenyl)-2-(4-butyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is YTYZKXIBLBVTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-6-7-8-19-13(2)25-26(15(19)4)22-23-14(3)20(29-22)21(28)24-18-11-9-17(10-12-18)16(5)27/h9-12H,6-8H2,1-5H3,(H,24,28).
What are the key properties of N-(4-acetylphenyl)-2-(4-butyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide?
N-(4-acetylphenyl)-2-(4-butyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 410.54 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(4-butyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 23611564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).