4-fluoro-4-methyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]cyclohexane-1-carboxamide

C17H26FN3OS — CID 167862867

IUPAC4-fluoro-4-methyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]cyclohexane-1-carboxamide
SMILESCC1(F)CCC(C(=O)NCCc2csc(N3CCCC3)n2)CC1
InChIInChI=1S/C17H26FN3OS/c1-17(18)7-4-13(5-8-17)15(22)19-9-6-14-12-23-16(20-14)21-10-2-3-11-21/h12-13H,2-11H2,1H3,(H,19,22)
InChIKeyZOGWRKQQZRQXKY-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.32
Rot. Bonds5

About 4-fluoro-4-methyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]cyclohexane-1-carboxamide

4-fluoro-4-methyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 167862867) has the molecular formula C17H26FN3OS and a molecular weight of 339.48 g/mol. Its IUPAC name is 4-fluoro-4-methyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-fluoro-4-methyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID167862867
Molecular FormulaC17H26FN3OS
Molecular Weight339.48 g/mol
Exact Mass339.18
IUPAC Name4-fluoro-4-methyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]cyclohexane-1-carboxamide
SMILESCC1(F)CCC(C(=O)NCCc2csc(N3CCCC3)n2)CC1
InChIInChI=1S/C17H26FN3OS/c1-17(18)7-4-13(5-8-17)15(22)19-9-6-14-12-23-16(20-14)21-10-2-3-11-21/h12-13H,2-11H2,1H3,(H,19,22)
InChIKeyZOGWRKQQZRQXKY-UHFFFAOYSA-N
XLogP3.32
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-methyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-fluoro-4-methyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]cyclohexane-1-carboxamide (CID 167862867) is 4-fluoro-4-methyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-fluoro-4-methyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-fluoro-4-methyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]cyclohexane-1-carboxamide is CC1(F)CCC(C(=O)NCCc2csc(N3CCCC3)n2)CC1.
What is the InChIKey of 4-fluoro-4-methyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is ZOGWRKQQZRQXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3OS/c1-17(18)7-4-13(5-8-17)15(22)19-9-6-14-12-23-16(20-14)21-10-2-3-11-21/h12-13H,2-11H2,1H3,(H,19,22).
What are the key properties of 4-fluoro-4-methyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]cyclohexane-1-carboxamide?
4-fluoro-4-methyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 339.48 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-methyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 167862867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).