1-[2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]pyrazole-3-carboxylic acid

C19H20N4O3S — CID 119206732

IUPAC1-[2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]pyrazole-3-carboxylic acid
SMILESCC(C)(C)c1nc(CC(=O)Nc2ccccc2-n2ccc(C(=O)O)n2)cs1
InChIInChI=1S/C19H20N4O3S/c1-19(2,3)18-20-12(11-27-18)10-16(24)21-13-6-4-5-7-15(13)23-9-8-14(22-23)17(25)26/h4-9,11H,10H2,1-3H3,(H,21,24)(H,25,26)
InChIKeyXEJFRRVPTFDNGG-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.51
Rot. Bonds5

About 1-[2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]pyrazole-3-carboxylic acid

1-[2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]pyrazole-3-carboxylic acid (PubChem CID 119206732) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 1-[2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]pyrazole-3-carboxylic acid
PubChem CID119206732
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name1-[2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]pyrazole-3-carboxylic acid
SMILESCC(C)(C)c1nc(CC(=O)Nc2ccccc2-n2ccc(C(=O)O)n2)cs1
InChIInChI=1S/C19H20N4O3S/c1-19(2,3)18-20-12(11-27-18)10-16(24)21-13-6-4-5-7-15(13)23-9-8-14(22-23)17(25)26/h4-9,11H,10H2,1-3H3,(H,21,24)(H,25,26)
InChIKeyXEJFRRVPTFDNGG-UHFFFAOYSA-N
XLogP3.51
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]pyrazole-3-carboxylic acid with MolForge

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Related Compounds

N-(2-aminophenyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride
CID 119422829
1-[2-[3-(2,2-dimethylpropanoylamino)propanoylamino]phenyl]pyrazole-3-carboxylic acid
CID 119206710
1-[2-(butanoylamino)phenyl]pyrazole-3-carboxylic acid
CID 167950435
1-[2-(hexanoylamino)phenyl]pyrazole-3-carboxylic acid
CID 119206620
1-[2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]pyrazole-3-carboxylic acid
CID 119206679
N-[2-(4-methylpiperazin-1-yl)phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 18189834
N-(2-imidazol-1-ylphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 47025486
3-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120701706
2-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenylphenyl)acetamide
CID 29454554
1-[4-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]phenyl]pyrazole-3-carboxylic acid
CID 75383767
1-[2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid
CID 119206700
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 111471780

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]pyrazole-3-carboxylic acid?
The IUPAC name of 1-[2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]pyrazole-3-carboxylic acid (CID 119206732) is 1-[2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-[2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]pyrazole-3-carboxylic acid is CC(C)(C)c1nc(CC(=O)Nc2ccccc2-n2ccc(C(=O)O)n2)cs1.
What is the InChIKey of 1-[2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]pyrazole-3-carboxylic acid?
The InChIKey is XEJFRRVPTFDNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-19(2,3)18-20-12(11-27-18)10-16(24)21-13-6-4-5-7-15(13)23-9-8-14(22-23)17(25)26/h4-9,11H,10H2,1-3H3,(H,21,24)(H,25,26).
What are the key properties of 1-[2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]pyrazole-3-carboxylic acid?
1-[2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]pyrazole-3-carboxylic acid has a molecular weight of 384.46 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 119206732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).