2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide

C17H16F2N4OS — CID 155882940

IUPAC2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
SMILESCn1cc(-c2nc(C(=O)NCCc3ccccc3)cs2)c(C(F)F)n1
InChIInChI=1S/C17H16F2N4OS/c1-23-9-12(14(22-23)15(18)19)17-21-13(10-25-17)16(24)20-8-7-11-5-3-2-4-6-11/h2-6,9-10,15H,7-8H2,1H3,(H,20,24)
InChIKeyZVVBVNBJCVQCAA-UHFFFAOYSA-N
MW362.41 g/mol
LogP3.45
Rot. Bonds6

About 2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide

2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide (PubChem CID 155882940) has the molecular formula C17H16F2N4OS and a molecular weight of 362.41 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
PubChem CID155882940
Molecular FormulaC17H16F2N4OS
Molecular Weight362.41 g/mol
Exact Mass362.10
IUPAC Name2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
SMILESCn1cc(-c2nc(C(=O)NCCc3ccccc3)cs2)c(C(F)F)n1
InChIInChI=1S/C17H16F2N4OS/c1-23-9-12(14(22-23)15(18)19)17-21-13(10-25-17)16(24)20-8-7-11-5-3-2-4-6-11/h2-6,9-10,15H,7-8H2,1H3,(H,20,24)
InChIKeyZVVBVNBJCVQCAA-UHFFFAOYSA-N
XLogP3.45
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide (CID 155882940) is 2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide is Cn1cc(-c2nc(C(=O)NCCc3ccccc3)cs2)c(C(F)F)n1.
What is the InChIKey of 2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is ZVVBVNBJCVQCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4OS/c1-23-9-12(14(22-23)15(18)19)17-21-13(10-25-17)16(24)20-8-7-11-5-3-2-4-6-11/h2-6,9-10,15H,7-8H2,1H3,(H,20,24).
What are the key properties of 2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide?
2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 362.41 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 155882940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).