N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide

C16H19F2N3OS2 — CID 49073738

IUPACN-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2ccsc2)n1)NC1CCN(CC(F)F)CC1
InChIInChI=1S/C16H19F2N3OS2/c17-14(18)8-21-4-1-12(2-5-21)19-15(22)7-13-10-24-16(20-13)11-3-6-23-9-11/h3,6,9-10,12,14H,1-2,4-5,7-8H2,(H,19,22)
InChIKeyGIHUEZSXEXPWDQ-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.26
Rot. Bonds6

About N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide

N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 49073738) has the molecular formula C16H19F2N3OS2 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
PubChem CID49073738
Molecular FormulaC16H19F2N3OS2
Molecular Weight371.48 g/mol
Exact Mass371.09
IUPAC NameN-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2ccsc2)n1)NC1CCN(CC(F)F)CC1
InChIInChI=1S/C16H19F2N3OS2/c17-14(18)8-21-4-1-12(2-5-21)19-15(22)7-13-10-24-16(20-13)11-3-6-23-9-11/h3,6,9-10,12,14H,1-2,4-5,7-8H2,(H,19,22)
InChIKeyGIHUEZSXEXPWDQ-UHFFFAOYSA-N
XLogP3.26
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[2-[2-[1-(thiophene-3-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]propanamide
CID 53149509
N-(2-{2-[1-(Thiophene-3-carbonyl)piperidin-3-YL]-1,3-thiazol-4-YL}ethyl)cyclopropanecarboxamide
CID 71841720
2-methyl-N-(2-{2-[1-(3-thienylcarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl}ethyl)propanamide
CID 71841753
N-[2-[2-[1-(thiophene-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide
CID 71841793
N-(2-{2-[1-(Thiophene-3-carbonyl)piperidin-4-YL]-1,3-thiazol-4-YL}ethyl)cyclopropanecarboxamide
CID 71841905
1-[4-(2,2-Difluoroethyl)piperazin-1-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone
CID 49071081
2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 55535369
2-(2-Thiophen-3-yl-1,3-thiazol-4-yl)-1-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]ethanone
CID 55685430
2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 55946644
2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]acetamide
CID 56155283
N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]thiophene-3-carboxamide
CID 71993344
2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726270

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide (CID 49073738) is N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide is O=C(Cc1csc(-c2ccsc2)n1)NC1CCN(CC(F)F)CC1.
What is the InChIKey of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is GIHUEZSXEXPWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3OS2/c17-14(18)8-21-4-1-12(2-5-21)19-15(22)7-13-10-24-16(20-13)11-3-6-23-9-11/h3,6,9-10,12,14H,1-2,4-5,7-8H2,(H,19,22).
What are the key properties of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 371.48 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 49073738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).