4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazole-2-carboxamide

C14H12N4OS — CID 68510393

IUPAC4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazole-2-carboxamide
SMILESCc1nc(C(N)=O)sc1-c1ccc(-n2cccn2)cc1
InChIInChI=1S/C14H12N4OS/c1-9-12(20-14(17-9)13(15)19)10-3-5-11(6-4-10)18-8-2-7-16-18/h2-8H,1H3,(H2,15,19)
InChIKeyZLUBNGMNPOUHAD-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.40
Rot. Bonds3

About 4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazole-2-carboxamide

4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazole-2-carboxamide (PubChem CID 68510393) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is 4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazole-2-carboxamide
PubChem CID68510393
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC Name4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazole-2-carboxamide
SMILESCc1nc(C(N)=O)sc1-c1ccc(-n2cccn2)cc1
InChIInChI=1S/C14H12N4OS/c1-9-12(20-14(17-9)13(15)19)10-3-5-11(6-4-10)18-8-2-7-16-18/h2-8H,1H3,(H2,15,19)
InChIKeyZLUBNGMNPOUHAD-UHFFFAOYSA-N
XLogP2.40
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazole-2-carboxamide (CID 68510393) is 4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazole-2-carboxamide is Cc1nc(C(N)=O)sc1-c1ccc(-n2cccn2)cc1.
What is the InChIKey of 4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazole-2-carboxamide?
The InChIKey is ZLUBNGMNPOUHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS/c1-9-12(20-14(17-9)13(15)19)10-3-5-11(6-4-10)18-8-2-7-16-18/h2-8H,1H3,(H2,15,19).
What are the key properties of 4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazole-2-carboxamide?
4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazole-2-carboxamide has a molecular weight of 284.34 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 68510393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).