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

C16H11F2N7OS — CID 122638626

IUPACN-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cn(C(F)F)nc1-c1ccccn1)c1csc(-c2cn[nH]c2)n1
InChIInChI=1S/C16H11F2N7OS/c17-16(18)25-7-11(13(24-25)10-3-1-2-4-19-10)22-14(26)12-8-27-15(23-12)9-5-20-21-6-9/h1-8,16H,(H,20,21)(H,22,26)
InChIKeyVUHZUFLESCIZLT-UHFFFAOYSA-N
MW387.38 g/mol
LogP3.44
Rot. Bonds5

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

N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 122638626) has the molecular formula C16H11F2N7OS and a molecular weight of 387.38 g/mol. Its IUPAC name is N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID122638626
Molecular FormulaC16H11F2N7OS
Molecular Weight387.38 g/mol
Exact Mass387.07
IUPAC NameN-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cn(C(F)F)nc1-c1ccccn1)c1csc(-c2cn[nH]c2)n1
InChIInChI=1S/C16H11F2N7OS/c17-16(18)25-7-11(13(24-25)10-3-1-2-4-19-10)22-14(26)12-8-27-15(23-12)9-5-20-21-6-9/h1-8,16H,(H,20,21)(H,22,26)
InChIKeyVUHZUFLESCIZLT-UHFFFAOYSA-N
XLogP3.44
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.38
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 70692367
CID 70692367
CID 70692368
CID 70692368
CID 155754952
CID 155754952
CID 46889160
CID 46889160
CID 46889202
CID 46889202
CID 71060735
CID 71060735
CID 122638600
CID 122638600
CID 71618252
CID 71618252
CID 86298868
CID 86298868
CID 53605136
CID 53605136
CID 148951882
CID 148951882
CID 164547266
CID 164547266

Frequently Asked Questions

What is the IUPAC name of N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 122638626) is N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is O=C(Nc1cn(C(F)F)nc1-c1ccccn1)c1csc(-c2cn[nH]c2)n1.
What is the InChIKey of N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is VUHZUFLESCIZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N7OS/c17-16(18)25-7-11(13(24-25)10-3-1-2-4-19-10)22-14(26)12-8-27-15(23-12)9-5-20-21-6-9/h1-8,16H,(H,20,21)(H,22,26).
What are the key properties of N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 387.38 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 122638626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).