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

C15H16F2N6O2S — CID 165129976

IUPACN-[3-(difluoromethyl)-1-(2-ethoxyethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCCOCCn1cc(NC(=O)c2csc(-c3cn[nH]c3)n2)c(C(F)F)n1
InChIInChI=1S/C15H16F2N6O2S/c1-2-25-4-3-23-7-10(12(22-23)13(16)17)20-14(24)11-8-26-15(21-11)9-5-18-19-6-9/h5-8,13H,2-4H2,1H3,(H,18,19)(H,20,24)
InChIKeyWXKQGEYSOXRIBG-UHFFFAOYSA-N
MW382.40 g/mol
LogP2.96
Rot. Bonds8

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

N-[3-(difluoromethyl)-1-(2-ethoxyethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 165129976) has the molecular formula C15H16F2N6O2S and a molecular weight of 382.40 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-1-(2-ethoxyethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)-1-(2-ethoxyethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID165129976
Molecular FormulaC15H16F2N6O2S
Molecular Weight382.40 g/mol
Exact Mass382.10
IUPAC NameN-[3-(difluoromethyl)-1-(2-ethoxyethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCCOCCn1cc(NC(=O)c2csc(-c3cn[nH]c3)n2)c(C(F)F)n1
InChIInChI=1S/C15H16F2N6O2S/c1-2-25-4-3-23-7-10(12(22-23)13(16)17)20-14(24)11-8-26-15(21-11)9-5-18-19-6-9/h5-8,13H,2-4H2,1H3,(H,18,19)(H,20,24)
InChIKeyWXKQGEYSOXRIBG-UHFFFAOYSA-N
XLogP2.96
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)-1-(2-ethoxyethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[3-(difluoromethyl)-1-(2-ethoxyethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 165129976) is N-[3-(difluoromethyl)-1-(2-ethoxyethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-(difluoromethyl)-1-(2-ethoxyethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[3-(difluoromethyl)-1-(2-ethoxyethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is CCOCCn1cc(NC(=O)c2csc(-c3cn[nH]c3)n2)c(C(F)F)n1.
What is the InChIKey of N-[3-(difluoromethyl)-1-(2-ethoxyethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is WXKQGEYSOXRIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N6O2S/c1-2-25-4-3-23-7-10(12(22-23)13(16)17)20-14(24)11-8-26-15(21-11)9-5-18-19-6-9/h5-8,13H,2-4H2,1H3,(H,18,19)(H,20,24).
What are the key properties of N-[3-(difluoromethyl)-1-(2-ethoxyethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-[3-(difluoromethyl)-1-(2-ethoxyethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 382.40 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)-1-(2-ethoxyethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 165129976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).