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

C15H17F2N5O2S — CID 118060959

IUPAC2-(difluoromethyl)-N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESCn1cc(NC(=O)c2csc(C(F)F)n2)c(N2CCC(C)(C)C2=O)n1
InChIInChI=1S/C15H17F2N5O2S/c1-15(2)4-5-22(14(15)24)11-8(6-21(3)20-11)18-12(23)9-7-25-13(19-9)10(16)17/h6-7,10H,4-5H2,1-3H3,(H,18,23)
InChIKeyABDOBPHVYNDJOP-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.83
Rot. Bonds4

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

2-(difluoromethyl)-N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 118060959) has the molecular formula C15H17F2N5O2S and a molecular weight of 369.40 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID118060959
Molecular FormulaC15H17F2N5O2S
Molecular Weight369.40 g/mol
Exact Mass369.11
IUPAC Name2-(difluoromethyl)-N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESCn1cc(NC(=O)c2csc(C(F)F)n2)c(N2CCC(C)(C)C2=O)n1
InChIInChI=1S/C15H17F2N5O2S/c1-15(2)4-5-22(14(15)24)11-8(6-21(3)20-11)18-12(23)9-7-25-13(19-9)10(16)17/h6-7,10H,4-5H2,1-3H3,(H,18,23)
InChIKeyABDOBPHVYNDJOP-UHFFFAOYSA-N
XLogP2.83
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(difluoromethyl)-N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide (CID 118060959) is 2-(difluoromethyl)-N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide is Cn1cc(NC(=O)c2csc(C(F)F)n2)c(N2CCC(C)(C)C2=O)n1.
What is the InChIKey of 2-(difluoromethyl)-N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is ABDOBPHVYNDJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N5O2S/c1-15(2)4-5-22(14(15)24)11-8(6-21(3)20-11)18-12(23)9-7-25-13(19-9)10(16)17/h6-7,10H,4-5H2,1-3H3,(H,18,23).
What are the key properties of 2-(difluoromethyl)-N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide?
2-(difluoromethyl)-N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 369.40 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 118060959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).