2-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine

C13H13N5S — CID 154583364

IUPAC2-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
SMILESc1cc2sc(N3CC(Cn4ccnc4)C3)nc2cn1
InChIInChI=1S/C13H13N5S/c1-2-14-5-11-12(1)19-13(16-11)18-7-10(8-18)6-17-4-3-15-9-17/h1-5,9-10H,6-8H2
InChIKeyKEAKMHWSZDIBGU-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.02
Rot. Bonds3

About 2-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine

2-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine (PubChem CID 154583364) has the molecular formula C13H13N5S and a molecular weight of 271.35 g/mol. Its IUPAC name is 2-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
PubChem CID154583364
Molecular FormulaC13H13N5S
Molecular Weight271.35 g/mol
Exact Mass271.09
IUPAC Name2-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
SMILESc1cc2sc(N3CC(Cn4ccnc4)C3)nc2cn1
InChIInChI=1S/C13H13N5S/c1-2-14-5-11-12(1)19-13(16-11)18-7-10(8-18)6-17-4-3-15-9-17/h1-5,9-10H,6-8H2
InChIKeyKEAKMHWSZDIBGU-UHFFFAOYSA-N
XLogP2.02
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine?
The IUPAC name of 2-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine (CID 154583364) is 2-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine.
What is the SMILES notation for 2-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine?
The canonical SMILES for 2-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine is c1cc2sc(N3CC(Cn4ccnc4)C3)nc2cn1.
What is the InChIKey of 2-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine?
The InChIKey is KEAKMHWSZDIBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5S/c1-2-14-5-11-12(1)19-13(16-11)18-7-10(8-18)6-17-4-3-15-9-17/h1-5,9-10H,6-8H2.
What are the key properties of 2-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine?
2-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine has a molecular weight of 271.35 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine is sourced from PubChem (CID 154583364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).