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

C17H19F2N3OS — CID 127047284

IUPACN-[2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboxamide
SMILESO=C(NCCc1nc(-c2ccc(F)c(F)c2)cs1)N1CCCCC1
InChIInChI=1S/C17H19F2N3OS/c18-13-5-4-12(10-14(13)19)15-11-24-16(21-15)6-7-20-17(23)22-8-2-1-3-9-22/h4-5,10-11H,1-3,6-9H2,(H,20,23)
InChIKeyLIUDUNOJGBHQIC-UHFFFAOYSA-N
MW351.42 g/mol
LogP3.83
Rot. Bonds4

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

N-[2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboxamide (PubChem CID 127047284) has the molecular formula C17H19F2N3OS and a molecular weight of 351.42 g/mol. Its IUPAC name is N-[2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboxamide
PubChem CID127047284
Molecular FormulaC17H19F2N3OS
Molecular Weight351.42 g/mol
Exact Mass351.12
IUPAC NameN-[2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboxamide
SMILESO=C(NCCc1nc(-c2ccc(F)c(F)c2)cs1)N1CCCCC1
InChIInChI=1S/C17H19F2N3OS/c18-13-5-4-12(10-14(13)19)15-11-24-16(21-15)6-7-20-17(23)22-8-2-1-3-9-22/h4-5,10-11H,1-3,6-9H2,(H,20,23)
InChIKeyLIUDUNOJGBHQIC-UHFFFAOYSA-N
XLogP3.83
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 2591198
4-(4-Phenyl-thiazol-2-yl)-piperazine-1-carboxylic acid dimethylamide
CID 778223
3,3-dimethyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 7152314
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 3244200
2,6-difluoro-N-(2-(2-phenylthiazol-4-yl)ethyl)benzamide
CID 16194573
N-(2-(2-phenylthiazol-4-yl)ethyl)cyclopentanecarboxamide
CID 18554625
N-(2-(2-phenylthiazol-4-yl)ethyl)cyclohexanecarboxamide
CID 22583820
1-[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 44143946
1-[4-(2-Fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 44144338
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide
CID 92131180
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide
CID 118514488
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]azepane-1-carboxamide
CID 118514531

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboxamide?
The IUPAC name of N-[2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboxamide (CID 127047284) is N-[2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-[2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboxamide is O=C(NCCc1nc(-c2ccc(F)c(F)c2)cs1)N1CCCCC1.
What is the InChIKey of N-[2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboxamide?
The InChIKey is LIUDUNOJGBHQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3OS/c18-13-5-4-12(10-14(13)19)15-11-24-16(21-15)6-7-20-17(23)22-8-2-1-3-9-22/h4-5,10-11H,1-3,6-9H2,(H,20,23).
What are the key properties of N-[2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboxamide?
N-[2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboxamide has a molecular weight of 351.42 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 127047284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).