N-[5-(2,3-difluorophenyl)pyrazolidin-3-yl]-1,3-thiazole-4-carboxamide

C13H12F2N4OS — CID 134071896

IUPACN-[5-(2,3-difluorophenyl)pyrazolidin-3-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CC(c2cccc(F)c2F)NN1)c1cscn1
InChIInChI=1S/C13H12F2N4OS/c14-8-3-1-2-7(12(8)15)9-4-11(19-18-9)17-13(20)10-5-21-6-16-10/h1-3,5-6,9,11,18-19H,4H2,(H,17,20)
InChIKeyCSDJQTCTVVNAEM-UHFFFAOYSA-N
MW310.33 g/mol
LogP1.72
Rot. Bonds3

About N-[5-(2,3-difluorophenyl)pyrazolidin-3-yl]-1,3-thiazole-4-carboxamide

N-[5-(2,3-difluorophenyl)pyrazolidin-3-yl]-1,3-thiazole-4-carboxamide (PubChem CID 134071896) has the molecular formula C13H12F2N4OS and a molecular weight of 310.33 g/mol. Its IUPAC name is N-[5-(2,3-difluorophenyl)pyrazolidin-3-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(2,3-difluorophenyl)pyrazolidin-3-yl]-1,3-thiazole-4-carboxamide
PubChem CID134071896
Molecular FormulaC13H12F2N4OS
Molecular Weight310.33 g/mol
Exact Mass310.07
IUPAC NameN-[5-(2,3-difluorophenyl)pyrazolidin-3-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CC(c2cccc(F)c2F)NN1)c1cscn1
InChIInChI=1S/C13H12F2N4OS/c14-8-3-1-2-7(12(8)15)9-4-11(19-18-9)17-13(20)10-5-21-6-16-10/h1-3,5-6,9,11,18-19H,4H2,(H,17,20)
InChIKeyCSDJQTCTVVNAEM-UHFFFAOYSA-N
XLogP1.72
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,3-difluorophenyl)pyrazolidin-3-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[5-(2,3-difluorophenyl)pyrazolidin-3-yl]-1,3-thiazole-4-carboxamide (CID 134071896) is N-[5-(2,3-difluorophenyl)pyrazolidin-3-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[5-(2,3-difluorophenyl)pyrazolidin-3-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[5-(2,3-difluorophenyl)pyrazolidin-3-yl]-1,3-thiazole-4-carboxamide is O=C(NC1CC(c2cccc(F)c2F)NN1)c1cscn1.
What is the InChIKey of N-[5-(2,3-difluorophenyl)pyrazolidin-3-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is CSDJQTCTVVNAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N4OS/c14-8-3-1-2-7(12(8)15)9-4-11(19-18-9)17-13(20)10-5-21-6-16-10/h1-3,5-6,9,11,18-19H,4H2,(H,17,20).
What are the key properties of N-[5-(2,3-difluorophenyl)pyrazolidin-3-yl]-1,3-thiazole-4-carboxamide?
N-[5-(2,3-difluorophenyl)pyrazolidin-3-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 310.33 g/mol, XLogP of 1.72, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,3-difluorophenyl)pyrazolidin-3-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 134071896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).