[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone

C19H23F2N3OS — CID 30860418

IUPAC[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone
SMILESCC(C)(C)c1csc(CN2CCN(C(=O)c3ccc(F)c(F)c3)CC2)n1
InChIInChI=1S/C19H23F2N3OS/c1-19(2,3)16-12-26-17(22-16)11-23-6-8-24(9-7-23)18(25)13-4-5-14(20)15(21)10-13/h4-5,10,12H,6-9,11H2,1-3H3
InChIKeyVDDIDNPDWGRLIV-UHFFFAOYSA-N
MW379.48 g/mol
LogP3.68
Rot. Bonds3

About [4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone

[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone (PubChem CID 30860418) has the molecular formula C19H23F2N3OS and a molecular weight of 379.48 g/mol. Its IUPAC name is [4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone.

Molecular Properties

Compound Name[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone
PubChem CID30860418
Molecular FormulaC19H23F2N3OS
Molecular Weight379.48 g/mol
Exact Mass379.15
IUPAC Name[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone
SMILESCC(C)(C)c1csc(CN2CCN(C(=O)c3ccc(F)c(F)c3)CC2)n1
InChIInChI=1S/C19H23F2N3OS/c1-19(2,3)16-12-26-17(22-16)11-23-6-8-24(9-7-23)18(25)13-4-5-14(20)15(21)10-13/h4-5,10,12H,6-9,11H2,1-3H3
InChIKeyVDDIDNPDWGRLIV-UHFFFAOYSA-N
XLogP3.68
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 723245
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CID 711975
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Frequently Asked Questions

What is the IUPAC name of [4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone?
The IUPAC name of [4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone (CID 30860418) is [4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone.
What is the SMILES notation for [4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone?
The canonical SMILES for [4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone is CC(C)(C)c1csc(CN2CCN(C(=O)c3ccc(F)c(F)c3)CC2)n1.
What is the InChIKey of [4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone?
The InChIKey is VDDIDNPDWGRLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3OS/c1-19(2,3)16-12-26-17(22-16)11-23-6-8-24(9-7-23)18(25)13-4-5-14(20)15(21)10-13/h4-5,10,12H,6-9,11H2,1-3H3.
What are the key properties of [4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone?
[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone has a molecular weight of 379.48 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone is sourced from PubChem (CID 30860418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).