N-[3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

C15H16F2N6OS — CID 165130055

IUPACN-[3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)Cn1cc(NC(=O)c2csc(-c3cn[nH]c3)n2)c(C(F)F)n1
InChIInChI=1S/C15H16F2N6OS/c1-8(2)5-23-6-10(12(22-23)13(16)17)20-14(24)11-7-25-15(21-11)9-3-18-19-4-9/h3-4,6-8,13H,5H2,1-2H3,(H,18,19)(H,20,24)
InChIKeyQFHKZXUGZRDOGS-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.58
Rot. Bonds6

About N-[3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

N-[3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 165130055) has the molecular formula C15H16F2N6OS and a molecular weight of 366.40 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID165130055
Molecular FormulaC15H16F2N6OS
Molecular Weight366.40 g/mol
Exact Mass366.11
IUPAC NameN-[3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)Cn1cc(NC(=O)c2csc(-c3cn[nH]c3)n2)c(C(F)F)n1
InChIInChI=1S/C15H16F2N6OS/c1-8(2)5-23-6-10(12(22-23)13(16)17)20-14(24)11-7-25-15(21-11)9-3-18-19-4-9/h3-4,6-8,13H,5H2,1-2H3,(H,18,19)(H,20,24)
InChIKeyQFHKZXUGZRDOGS-UHFFFAOYSA-N
XLogP3.58
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-cyclobutylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 165129904
US20240174679, Example 1-40
CID 122638479
US20240174679, Example 7-31
CID 165129895
US20240174679, Example 7-12
CID 165129901
US20240174679, Example 7-36
CID 165129911
US20240174679, Example 7-42
CID 165129933
US20240174679, Example 1-35
CID 165129971
US20240174679, Example 3-1
CID 165129972
US20240174679, Example 7-40
CID 165129976
US20240174679, Example 1-43
CID 165129981
US20240174679, Example 5-1
CID 165129988
US20240174679, Example 9-17
CID 165129993

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 165130055) is N-[3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is CC(C)Cn1cc(NC(=O)c2csc(-c3cn[nH]c3)n2)c(C(F)F)n1.
What is the InChIKey of N-[3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is QFHKZXUGZRDOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N6OS/c1-8(2)5-23-6-10(12(22-23)13(16)17)20-14(24)11-7-25-15(21-11)9-3-18-19-4-9/h3-4,6-8,13H,5H2,1-2H3,(H,18,19)(H,20,24).
What are the key properties of N-[3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-[3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 165130055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).