N-(4-tert-butyl-1,3-thiazol-2-yl)-5-oxo-1,4-dihydropyrazole-3-carboxamide

C11H14N4O2S — CID 110467861

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-5-oxo-1,4-dihydropyrazole-3-carboxamide
SMILESCC(C)(C)c1csc(NC(=O)C2=NNC(=O)C2)n1
InChIInChI=1S/C11H14N4O2S/c1-11(2,3)7-5-18-10(12-7)13-9(17)6-4-8(16)15-14-6/h5H,4H2,1-3H3,(H,15,16)(H,12,13,17)
InChIKeyXMIZEVGHDQLWDK-UHFFFAOYSA-N
MW266.33 g/mol
LogP1.25
Rot. Bonds2

About N-(4-tert-butyl-1,3-thiazol-2-yl)-5-oxo-1,4-dihydropyrazole-3-carboxamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-5-oxo-1,4-dihydropyrazole-3-carboxamide (PubChem CID 110467861) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-5-oxo-1,4-dihydropyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-5-oxo-1,4-dihydropyrazole-3-carboxamide
PubChem CID110467861
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-5-oxo-1,4-dihydropyrazole-3-carboxamide
SMILESCC(C)(C)c1csc(NC(=O)C2=NNC(=O)C2)n1
InChIInChI=1S/C11H14N4O2S/c1-11(2,3)7-5-18-10(12-7)13-9(17)6-4-8(16)15-14-6/h5H,4H2,1-3H3,(H,15,16)(H,12,13,17)
InChIKeyXMIZEVGHDQLWDK-UHFFFAOYSA-N
XLogP1.25
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-tert-butyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 86975559
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CID 80618012
N-(4-tert-butyl-1,3-thiazol-2-yl)-1H-imidazole-5-carboxamide
CID 110475330
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide
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N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-oxo-1,4-dihydropyrazole-3-carboxamide
CID 110467860
5-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 2380414
N-(4-tert-butyl-1,3-thiazol-2-yl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
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N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydrazinylbenzamide
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N-(4-tert-butyl-1,3-thiazol-2-yl)-3-chloropropanamide
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N-(4-tert-butyl-1,3-thiazol-2-yl)-5-iodothiophene-3-carboxamide
CID 78948952
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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-5-oxo-1,4-dihydropyrazole-3-carboxamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-5-oxo-1,4-dihydropyrazole-3-carboxamide (CID 110467861) is N-(4-tert-butyl-1,3-thiazol-2-yl)-5-oxo-1,4-dihydropyrazole-3-carboxamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-5-oxo-1,4-dihydropyrazole-3-carboxamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-5-oxo-1,4-dihydropyrazole-3-carboxamide is CC(C)(C)c1csc(NC(=O)C2=NNC(=O)C2)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-5-oxo-1,4-dihydropyrazole-3-carboxamide?
The InChIKey is XMIZEVGHDQLWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-11(2,3)7-5-18-10(12-7)13-9(17)6-4-8(16)15-14-6/h5H,4H2,1-3H3,(H,15,16)(H,12,13,17).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-5-oxo-1,4-dihydropyrazole-3-carboxamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-5-oxo-1,4-dihydropyrazole-3-carboxamide has a molecular weight of 266.33 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-5-oxo-1,4-dihydropyrazole-3-carboxamide is sourced from PubChem (CID 110467861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).