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

C14H14F2N6OS — CID 171600701

IUPACN-[3-(difluoromethyl)-1-propan-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)n1cc(NC(=O)c2csc(-c3cn[nH]c3)n2)c(C(F)F)n1
InChIInChI=1S/C14H14F2N6OS/c1-7(2)22-5-9(11(21-22)12(15)16)19-13(23)10-6-24-14(20-10)8-3-17-18-4-8/h3-7,12H,1-2H3,(H,17,18)(H,19,23)
InChIKeyYVGDHXTZCAEGQC-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.50
Rot. Bonds5

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

N-[3-(difluoromethyl)-1-propan-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 171600701) has the molecular formula C14H14F2N6OS and a molecular weight of 352.37 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-1-propan-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)-1-propan-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID171600701
Molecular FormulaC14H14F2N6OS
Molecular Weight352.37 g/mol
Exact Mass352.09
IUPAC NameN-[3-(difluoromethyl)-1-propan-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)n1cc(NC(=O)c2csc(-c3cn[nH]c3)n2)c(C(F)F)n1
InChIInChI=1S/C14H14F2N6OS/c1-7(2)22-5-9(11(21-22)12(15)16)19-13(23)10-6-24-14(20-10)8-3-17-18-4-8/h3-7,12H,1-2H3,(H,17,18)(H,19,23)
InChIKeyYVGDHXTZCAEGQC-UHFFFAOYSA-N
XLogP3.50
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.50
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-propan-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[3-(difluoromethyl)-1-propan-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 171600701) is N-[3-(difluoromethyl)-1-propan-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-(difluoromethyl)-1-propan-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[3-(difluoromethyl)-1-propan-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is CC(C)n1cc(NC(=O)c2csc(-c3cn[nH]c3)n2)c(C(F)F)n1.
What is the InChIKey of N-[3-(difluoromethyl)-1-propan-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is YVGDHXTZCAEGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N6OS/c1-7(2)22-5-9(11(21-22)12(15)16)19-13(23)10-6-24-14(20-10)8-3-17-18-4-8/h3-7,12H,1-2H3,(H,17,18)(H,19,23).
What are the key properties of N-[3-(difluoromethyl)-1-propan-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-[3-(difluoromethyl)-1-propan-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 352.37 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)-1-propan-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 171600701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).