[2-(2,2-difluoroethyl)pyrazol-3-yl]-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone

C15H19F2N5OS — CID 136538094

IUPAC[2-(2,2-difluoroethyl)pyrazol-3-yl]-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCCc1cnc(N2CCN(C(=O)c3ccnn3CC(F)F)CC2)s1
InChIInChI=1S/C15H19F2N5OS/c1-2-11-9-18-15(24-11)21-7-5-20(6-8-21)14(23)12-3-4-19-22(12)10-13(16)17/h3-4,9,13H,2,5-8,10H2,1H3
InChIKeyIIEDYWWJCIKYSP-UHFFFAOYSA-N
MW355.41 g/mol
LogP2.13
Rot. Bonds5

About [2-(2,2-difluoroethyl)pyrazol-3-yl]-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone

[2-(2,2-difluoroethyl)pyrazol-3-yl]-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 136538094) has the molecular formula C15H19F2N5OS and a molecular weight of 355.41 g/mol. Its IUPAC name is [2-(2,2-difluoroethyl)pyrazol-3-yl]-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(2,2-difluoroethyl)pyrazol-3-yl]-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
PubChem CID136538094
Molecular FormulaC15H19F2N5OS
Molecular Weight355.41 g/mol
Exact Mass355.13
IUPAC Name[2-(2,2-difluoroethyl)pyrazol-3-yl]-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCCc1cnc(N2CCN(C(=O)c3ccnn3CC(F)F)CC2)s1
InChIInChI=1S/C15H19F2N5OS/c1-2-11-9-18-15(24-11)21-7-5-20(6-8-21)14(23)12-3-4-19-22(12)10-13(16)17/h3-4,9,13H,2,5-8,10H2,1H3
InChIKeyIIEDYWWJCIKYSP-UHFFFAOYSA-N
XLogP2.13
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(2,2-difluoroethyl)pyrazol-3-yl]-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of [2-(2,2-difluoroethyl)pyrazol-3-yl]-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone (CID 136538094) is [2-(2,2-difluoroethyl)pyrazol-3-yl]-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(2,2-difluoroethyl)pyrazol-3-yl]-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(2,2-difluoroethyl)pyrazol-3-yl]-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone is CCc1cnc(N2CCN(C(=O)c3ccnn3CC(F)F)CC2)s1.
What is the InChIKey of [2-(2,2-difluoroethyl)pyrazol-3-yl]-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is IIEDYWWJCIKYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N5OS/c1-2-11-9-18-15(24-11)21-7-5-20(6-8-21)14(23)12-3-4-19-22(12)10-13(16)17/h3-4,9,13H,2,5-8,10H2,1H3.
What are the key properties of [2-(2,2-difluoroethyl)pyrazol-3-yl]-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
[2-(2,2-difluoroethyl)pyrazol-3-yl]-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 355.41 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2-difluoroethyl)pyrazol-3-yl]-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 136538094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).