2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide

C23H22N4OS — CID 34502367

IUPAC2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
SMILESCc1cccc(-c2nc(CC(=O)NCCc3ccc(-n4cccn4)cc3)cs2)c1
InChIInChI=1S/C23H22N4OS/c1-17-4-2-5-19(14-17)23-26-20(16-29-23)15-22(28)24-12-10-18-6-8-21(9-7-18)27-13-3-11-25-27/h2-9,11,13-14,16H,10,12,15H2,1H3,(H,24,28)
InChIKeyDTQZHMMCQAYUJK-UHFFFAOYSA-N
MW402.52 g/mol
LogP4.21
Rot. Bonds7

About 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide

2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide (PubChem CID 34502367) has the molecular formula C23H22N4OS and a molecular weight of 402.52 g/mol. Its IUPAC name is 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
PubChem CID34502367
Molecular FormulaC23H22N4OS
Molecular Weight402.52 g/mol
Exact Mass402.15
IUPAC Name2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
SMILESCc1cccc(-c2nc(CC(=O)NCCc3ccc(-n4cccn4)cc3)cs2)c1
InChIInChI=1S/C23H22N4OS/c1-17-4-2-5-19(14-17)23-26-20(16-29-23)15-22(28)24-12-10-18-6-8-21(9-7-18)27-13-3-11-25-27/h2-9,11,13-14,16H,10,12,15H2,1H3,(H,24,28)
InChIKeyDTQZHMMCQAYUJK-UHFFFAOYSA-N
XLogP4.21
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methyl-1,3-thiazol-4-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 30525976
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 9404366
N-[2-(ethylamino)ethyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 119509228
methyl 6-[[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]hexanoate
CID 31840507
N-(3-aminobutyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119499385
4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 38076438
N-[2-(tert-butylamino)-2-oxoethyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 41276962
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 38162050
2-(3-methylphenyl)-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]acetamide
CID 7287530
N-cyclopropyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 17438306
N-(3-amino-2-methylpropyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 119995232
N-(3-benzylsulfonylpropyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 78900004

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide?
The IUPAC name of 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide (CID 34502367) is 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide is Cc1cccc(-c2nc(CC(=O)NCCc3ccc(-n4cccn4)cc3)cs2)c1.
What is the InChIKey of 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide?
The InChIKey is DTQZHMMCQAYUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4OS/c1-17-4-2-5-19(14-17)23-26-20(16-29-23)15-22(28)24-12-10-18-6-8-21(9-7-18)27-13-3-11-25-27/h2-9,11,13-14,16H,10,12,15H2,1H3,(H,24,28).
What are the key properties of 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide?
2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide has a molecular weight of 402.52 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide is sourced from PubChem (CID 34502367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).