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

C14H14N6OS — CID 165130008

IUPACN-(1-cyclobutylpyrazol-4-yl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnn(C2CCC2)c1)c1csc(-c2ccn[nH]2)n1
InChIInChI=1S/C14H14N6OS/c21-13(12-8-22-14(18-12)11-4-5-15-19-11)17-9-6-16-20(7-9)10-2-1-3-10/h4-8,10H,1-3H2,(H,15,19)(H,17,21)
InChIKeyVAZSCDWOFCAIQT-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.71
Rot. Bonds4

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

N-(1-cyclobutylpyrazol-4-yl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide (PubChem CID 165130008) has the molecular formula C14H14N6OS and a molecular weight of 314.37 g/mol. Its IUPAC name is N-(1-cyclobutylpyrazol-4-yl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyclobutylpyrazol-4-yl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide
PubChem CID165130008
Molecular FormulaC14H14N6OS
Molecular Weight314.37 g/mol
Exact Mass314.09
IUPAC NameN-(1-cyclobutylpyrazol-4-yl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnn(C2CCC2)c1)c1csc(-c2ccn[nH]2)n1
InChIInChI=1S/C14H14N6OS/c21-13(12-8-22-14(18-12)11-4-5-15-19-11)17-9-6-16-20(7-9)10-2-1-3-10/h4-8,10H,1-3H2,(H,15,19)(H,17,21)
InChIKeyVAZSCDWOFCAIQT-UHFFFAOYSA-N
XLogP2.71
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.71
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-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1-cyclobutylpyrazol-4-yl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide (CID 165130008) is N-(1-cyclobutylpyrazol-4-yl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1-cyclobutylpyrazol-4-yl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1-cyclobutylpyrazol-4-yl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide is O=C(Nc1cnn(C2CCC2)c1)c1csc(-c2ccn[nH]2)n1.
What is the InChIKey of N-(1-cyclobutylpyrazol-4-yl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is VAZSCDWOFCAIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6OS/c21-13(12-8-22-14(18-12)11-4-5-15-19-11)17-9-6-16-20(7-9)10-2-1-3-10/h4-8,10H,1-3H2,(H,15,19)(H,17,21).
What are the key properties of N-(1-cyclobutylpyrazol-4-yl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide?
N-(1-cyclobutylpyrazol-4-yl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 314.37 g/mol, XLogP of 2.71, 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-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 165130008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).