4-(2,2-difluoroethyl)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide

C12H18F2N4O2S — CID 71991756

IUPAC4-(2,2-difluoroethyl)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
SMILESCOCc1csc(NC(=O)N2CCN(CC(F)F)CC2)n1
InChIInChI=1S/C12H18F2N4O2S/c1-20-7-9-8-21-11(15-9)16-12(19)18-4-2-17(3-5-18)6-10(13)14/h8,10H,2-7H2,1H3,(H,15,16,19)
InChIKeyJBHRYVSOXQLELM-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.70
Rot. Bonds5

About 4-(2,2-difluoroethyl)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide

4-(2,2-difluoroethyl)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide (PubChem CID 71991756) has the molecular formula C12H18F2N4O2S and a molecular weight of 320.37 g/mol. Its IUPAC name is 4-(2,2-difluoroethyl)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,2-difluoroethyl)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
PubChem CID71991756
Molecular FormulaC12H18F2N4O2S
Molecular Weight320.37 g/mol
Exact Mass320.11
IUPAC Name4-(2,2-difluoroethyl)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
SMILESCOCc1csc(NC(=O)N2CCN(CC(F)F)CC2)n1
InChIInChI=1S/C12H18F2N4O2S/c1-20-7-9-8-21-11(15-9)16-12(19)18-4-2-17(3-5-18)6-10(13)14/h8,10H,2-7H2,1H3,(H,15,16,19)
InChIKeyJBHRYVSOXQLELM-UHFFFAOYSA-N
XLogP1.70
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethyl)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide?
The IUPAC name of 4-(2,2-difluoroethyl)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide (CID 71991756) is 4-(2,2-difluoroethyl)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,2-difluoroethyl)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2,2-difluoroethyl)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide is COCc1csc(NC(=O)N2CCN(CC(F)F)CC2)n1.
What is the InChIKey of 4-(2,2-difluoroethyl)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide?
The InChIKey is JBHRYVSOXQLELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N4O2S/c1-20-7-9-8-21-11(15-9)16-12(19)18-4-2-17(3-5-18)6-10(13)14/h8,10H,2-7H2,1H3,(H,15,16,19).
What are the key properties of 4-(2,2-difluoroethyl)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide?
4-(2,2-difluoroethyl)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide has a molecular weight of 320.37 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethyl)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 71991756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).