N-(1-cyclobutylpyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

C15H16N6OS — CID 165130017

IUPACN-(1-cyclobutylpyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCc1[nH]ncc1-c1nc(C(=O)Nc2cnn(C3CCC3)c2)cs1
InChIInChI=1S/C15H16N6OS/c1-9-12(6-16-20-9)15-19-13(8-23-15)14(22)18-10-5-17-21(7-10)11-3-2-4-11/h5-8,11H,2-4H2,1H3,(H,16,20)(H,18,22)
InChIKeyVQTVIKFNISBNBS-UHFFFAOYSA-N
MW328.40 g/mol
LogP3.02
Rot. Bonds4

About N-(1-cyclobutylpyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

N-(1-cyclobutylpyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 165130017) has the molecular formula C15H16N6OS and a molecular weight of 328.40 g/mol. Its IUPAC name is N-(1-cyclobutylpyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyclobutylpyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID165130017
Molecular FormulaC15H16N6OS
Molecular Weight328.40 g/mol
Exact Mass328.11
IUPAC NameN-(1-cyclobutylpyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCc1[nH]ncc1-c1nc(C(=O)Nc2cnn(C3CCC3)c2)cs1
InChIInChI=1S/C15H16N6OS/c1-9-12(6-16-20-9)15-19-13(8-23-15)14(22)18-10-5-17-21(7-10)11-3-2-4-11/h5-8,11H,2-4H2,1H3,(H,16,20)(H,18,22)
InChIKeyVQTVIKFNISBNBS-UHFFFAOYSA-N
XLogP3.02
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylpyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1-cyclobutylpyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 165130017) is N-(1-cyclobutylpyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1-cyclobutylpyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1-cyclobutylpyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is Cc1[nH]ncc1-c1nc(C(=O)Nc2cnn(C3CCC3)c2)cs1.
What is the InChIKey of N-(1-cyclobutylpyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is VQTVIKFNISBNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6OS/c1-9-12(6-16-20-9)15-19-13(8-23-15)14(22)18-10-5-17-21(7-10)11-3-2-4-11/h5-8,11H,2-4H2,1H3,(H,16,20)(H,18,22).
What are the key properties of N-(1-cyclobutylpyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-(1-cyclobutylpyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 328.40 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutylpyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 165130017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).