2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)-N-methylethanamine

C15H23F2N3S — CID 134404948

IUPAC2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)-N-methylethanamine
SMILESCNCC(c1cnc(C2CCC2)s1)N1CCC(F)(F)CC1
InChIInChI=1S/C15H23F2N3S/c1-18-9-12(20-7-5-15(16,17)6-8-20)13-10-19-14(21-13)11-3-2-4-11/h10-12,18H,2-9H2,1H3
InChIKeyYGFGIKVNFPESND-UHFFFAOYSA-N
MW315.43 g/mol
LogP3.40
Rot. Bonds5

About 2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)-N-methylethanamine

2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)-N-methylethanamine (PubChem CID 134404948) has the molecular formula C15H23F2N3S and a molecular weight of 315.43 g/mol. Its IUPAC name is 2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)-N-methylethanamine
PubChem CID134404948
Molecular FormulaC15H23F2N3S
Molecular Weight315.43 g/mol
Exact Mass315.16
IUPAC Name2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)-N-methylethanamine
SMILESCNCC(c1cnc(C2CCC2)s1)N1CCC(F)(F)CC1
InChIInChI=1S/C15H23F2N3S/c1-18-9-12(20-7-5-15(16,17)6-8-20)13-10-19-14(21-13)11-3-2-4-11/h10-12,18H,2-9H2,1H3
InChIKeyYGFGIKVNFPESND-UHFFFAOYSA-N
XLogP3.40
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)-N-methylethanamine?
The IUPAC name of 2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)-N-methylethanamine (CID 134404948) is 2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)-N-methylethanamine?
The canonical SMILES for 2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)-N-methylethanamine is CNCC(c1cnc(C2CCC2)s1)N1CCC(F)(F)CC1.
What is the InChIKey of 2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)-N-methylethanamine?
The InChIKey is YGFGIKVNFPESND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N3S/c1-18-9-12(20-7-5-15(16,17)6-8-20)13-10-19-14(21-13)11-3-2-4-11/h10-12,18H,2-9H2,1H3.
What are the key properties of 2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)-N-methylethanamine?
2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)-N-methylethanamine has a molecular weight of 315.43 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)-N-methylethanamine is sourced from PubChem (CID 134404948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).