1-[5-(2,2-difluoro-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide

C16H15F2N3O3S — CID 46907695

IUPAC1-[5-(2,2-difluoro-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ncc(-c3ccc4c(c3)OC(F)(F)O4)s2)CC1
InChIInChI=1S/C16H15F2N3O3S/c17-16(18)23-11-2-1-10(7-12(11)24-16)13-8-20-15(25-13)21-5-3-9(4-6-21)14(19)22/h1-2,7-9H,3-6H2,(H2,19,22)
InChIKeyDDLCYSXDTSCUGY-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.83
Rot. Bonds3

About 1-[5-(2,2-difluoro-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide

1-[5-(2,2-difluoro-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 46907695) has the molecular formula C16H15F2N3O3S and a molecular weight of 367.38 g/mol. Its IUPAC name is 1-[5-(2,2-difluoro-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(2,2-difluoro-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
PubChem CID46907695
Molecular FormulaC16H15F2N3O3S
Molecular Weight367.38 g/mol
Exact Mass367.08
IUPAC Name1-[5-(2,2-difluoro-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ncc(-c3ccc4c(c3)OC(F)(F)O4)s2)CC1
InChIInChI=1S/C16H15F2N3O3S/c17-16(18)23-11-2-1-10(7-12(11)24-16)13-8-20-15(25-13)21-5-3-9(4-6-21)14(19)22/h1-2,7-9H,3-6H2,(H2,19,22)
InChIKeyDDLCYSXDTSCUGY-UHFFFAOYSA-N
XLogP2.83
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-(5-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)thiazol-2-yl)piperidine-4-carboxylate
CID 46907687
1-[5-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907698
1-(5-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)thiazol-2-yl)piperidine-4-carboxamide
CID 46907699
1-[5-(3-Propan-2-yloxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907708
1-[5-(1,3-Benzodioxol-5-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907748
1-[5-(3,4-Dimethoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907678
1-[1-[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-yl]piperidin-4-yl]ethanone
CID 46907741
(3,5-difluoro(4-pyridyl))-N-[5-(2,2-difluoro-6-methylbenzo[d]1,3-dioxolen-5-yl)(1,3-thiazol-2-yl)]carboxamide
CID 56848403
N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-fluoropyridine-4-carboxamide
CID 56848404
(2,6-difluorophenyl)-N-[5-(2,2-difluoro-6-methylbenzo[d]1,3-dioxolen-5-yl)(1,3-thiazol-2-yl)]carboxamide
CID 56848444
N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 56848445
3-(1,3-benzodioxol-5-yl)-N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 25501663

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,2-difluoro-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[5-(2,2-difluoro-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 46907695) is 1-[5-(2,2-difluoro-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(2,2-difluoro-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[5-(2,2-difluoro-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is NC(=O)C1CCN(c2ncc(-c3ccc4c(c3)OC(F)(F)O4)s2)CC1.
What is the InChIKey of 1-[5-(2,2-difluoro-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is DDLCYSXDTSCUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O3S/c17-16(18)23-11-2-1-10(7-12(11)24-16)13-8-20-15(25-13)21-5-3-9(4-6-21)14(19)22/h1-2,7-9H,3-6H2,(H2,19,22).
What are the key properties of 1-[5-(2,2-difluoro-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
1-[5-(2,2-difluoro-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 367.38 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,2-difluoro-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 46907695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).