N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-(furan-3-carbonyl)piperidine-3-carboxamide

C20H17F2N3O3S — CID 42948212

IUPACN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-(furan-3-carbonyl)piperidine-3-carboxamide
SMILESO=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)C1CCCN(C(=O)c2ccoc2)C1
InChIInChI=1S/C20H17F2N3O3S/c21-15-4-3-12(8-16(15)22)17-11-29-20(23-17)24-18(26)13-2-1-6-25(9-13)19(27)14-5-7-28-10-14/h3-5,7-8,10-11,13H,1-2,6,9H2,(H,23,24,26)
InChIKeyISWMWSHYDJEZHD-UHFFFAOYSA-N
MW417.44 g/mol
LogP4.17
Rot. Bonds4

About N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-(furan-3-carbonyl)piperidine-3-carboxamide

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-(furan-3-carbonyl)piperidine-3-carboxamide (PubChem CID 42948212) has the molecular formula C20H17F2N3O3S and a molecular weight of 417.44 g/mol. Its IUPAC name is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-(furan-3-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-(furan-3-carbonyl)piperidine-3-carboxamide
PubChem CID42948212
Molecular FormulaC20H17F2N3O3S
Molecular Weight417.44 g/mol
Exact Mass417.10
IUPAC NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-(furan-3-carbonyl)piperidine-3-carboxamide
SMILESO=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)C1CCCN(C(=O)c2ccoc2)C1
InChIInChI=1S/C20H17F2N3O3S/c21-15-4-3-12(8-16(15)22)17-11-29-20(23-17)24-18(26)13-2-1-6-25(9-13)19(27)14-5-7-28-10-14/h3-5,7-8,10-11,13H,1-2,6,9H2,(H,23,24,26)
InChIKeyISWMWSHYDJEZHD-UHFFFAOYSA-N
XLogP4.17
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-(furan-3-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-(furan-3-carbonyl)piperidine-3-carboxamide (CID 42948212) is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-(furan-3-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-(furan-3-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-(furan-3-carbonyl)piperidine-3-carboxamide is O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)C1CCCN(C(=O)c2ccoc2)C1.
What is the InChIKey of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-(furan-3-carbonyl)piperidine-3-carboxamide?
The InChIKey is ISWMWSHYDJEZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O3S/c21-15-4-3-12(8-16(15)22)17-11-29-20(23-17)24-18(26)13-2-1-6-25(9-13)19(27)14-5-7-28-10-14/h3-5,7-8,10-11,13H,1-2,6,9H2,(H,23,24,26).
What are the key properties of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-(furan-3-carbonyl)piperidine-3-carboxamide?
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-(furan-3-carbonyl)piperidine-3-carboxamide has a molecular weight of 417.44 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-(furan-3-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 42948212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).