6-cyclobutyl-2-pyrrolidin-3-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine

C15H23N3S — CID 59755886

IUPAC6-cyclobutyl-2-pyrrolidin-3-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine
SMILESC1CC(N2CCc3nc(C4CCNC4)sc3CC2)C1
InChIInChI=1S/C15H23N3S/c1-2-12(3-1)18-8-5-13-14(6-9-18)19-15(17-13)11-4-7-16-10-11/h11-12,16H,1-10H2
InChIKeyNQULAAUVWPUYMT-UHFFFAOYSA-N
MW277.44 g/mol
LogP2.17
Rot. Bonds2

About 6-cyclobutyl-2-pyrrolidin-3-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine

6-cyclobutyl-2-pyrrolidin-3-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine (PubChem CID 59755886) has the molecular formula C15H23N3S and a molecular weight of 277.44 g/mol. Its IUPAC name is 6-cyclobutyl-2-pyrrolidin-3-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine.

Molecular Properties

Compound Name6-cyclobutyl-2-pyrrolidin-3-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine
PubChem CID59755886
Molecular FormulaC15H23N3S
Molecular Weight277.44 g/mol
Exact Mass277.16
IUPAC Name6-cyclobutyl-2-pyrrolidin-3-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine
SMILESC1CC(N2CCc3nc(C4CCNC4)sc3CC2)C1
InChIInChI=1S/C15H23N3S/c1-2-12(3-1)18-8-5-13-14(6-9-18)19-15(17-13)11-4-7-16-10-11/h11-12,16H,1-10H2
InChIKeyNQULAAUVWPUYMT-UHFFFAOYSA-N
XLogP2.17
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-2-pyrrolidin-3-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine?
The IUPAC name of 6-cyclobutyl-2-pyrrolidin-3-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine (CID 59755886) is 6-cyclobutyl-2-pyrrolidin-3-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine.
What is the SMILES notation for 6-cyclobutyl-2-pyrrolidin-3-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine?
The canonical SMILES for 6-cyclobutyl-2-pyrrolidin-3-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine is C1CC(N2CCc3nc(C4CCNC4)sc3CC2)C1.
What is the InChIKey of 6-cyclobutyl-2-pyrrolidin-3-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine?
The InChIKey is NQULAAUVWPUYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S/c1-2-12(3-1)18-8-5-13-14(6-9-18)19-15(17-13)11-4-7-16-10-11/h11-12,16H,1-10H2.
What are the key properties of 6-cyclobutyl-2-pyrrolidin-3-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine?
6-cyclobutyl-2-pyrrolidin-3-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine has a molecular weight of 277.44 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-2-pyrrolidin-3-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine is sourced from PubChem (CID 59755886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).