7-chloro-2-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-4-methoxy-1,3-benzothiazole

C15H15ClN4OS — CID 154830176

IUPAC7-chloro-2-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-4-methoxy-1,3-benzothiazole
SMILESCOc1ccc(Cl)c2sc(N3CC(Cn4ccnc4)C3)nc12
InChIInChI=1S/C15H15ClN4OS/c1-21-12-3-2-11(16)14-13(12)18-15(22-14)20-7-10(8-20)6-19-5-4-17-9-19/h2-5,9-10H,6-8H2,1H3
InChIKeyZYEWTGQVYKOXME-UHFFFAOYSA-N
MW334.83 g/mol
LogP3.29
Rot. Bonds4

About 7-chloro-2-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-4-methoxy-1,3-benzothiazole

7-chloro-2-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-4-methoxy-1,3-benzothiazole (PubChem CID 154830176) has the molecular formula C15H15ClN4OS and a molecular weight of 334.83 g/mol. Its IUPAC name is 7-chloro-2-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-4-methoxy-1,3-benzothiazole.

Molecular Properties

Compound Name7-chloro-2-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-4-methoxy-1,3-benzothiazole
PubChem CID154830176
Molecular FormulaC15H15ClN4OS
Molecular Weight334.83 g/mol
Exact Mass334.07
IUPAC Name7-chloro-2-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-4-methoxy-1,3-benzothiazole
SMILESCOc1ccc(Cl)c2sc(N3CC(Cn4ccnc4)C3)nc12
InChIInChI=1S/C15H15ClN4OS/c1-21-12-3-2-11(16)14-13(12)18-15(22-14)20-7-10(8-20)6-19-5-4-17-9-19/h2-5,9-10H,6-8H2,1H3
InChIKeyZYEWTGQVYKOXME-UHFFFAOYSA-N
XLogP3.29
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-4-methoxy-1,3-benzothiazole?
The IUPAC name of 7-chloro-2-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-4-methoxy-1,3-benzothiazole (CID 154830176) is 7-chloro-2-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-4-methoxy-1,3-benzothiazole.
What is the SMILES notation for 7-chloro-2-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-4-methoxy-1,3-benzothiazole?
The canonical SMILES for 7-chloro-2-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-4-methoxy-1,3-benzothiazole is COc1ccc(Cl)c2sc(N3CC(Cn4ccnc4)C3)nc12.
What is the InChIKey of 7-chloro-2-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-4-methoxy-1,3-benzothiazole?
The InChIKey is ZYEWTGQVYKOXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4OS/c1-21-12-3-2-11(16)14-13(12)18-15(22-14)20-7-10(8-20)6-19-5-4-17-9-19/h2-5,9-10H,6-8H2,1H3.
What are the key properties of 7-chloro-2-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-4-methoxy-1,3-benzothiazole?
7-chloro-2-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-4-methoxy-1,3-benzothiazole has a molecular weight of 334.83 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-4-methoxy-1,3-benzothiazole is sourced from PubChem (CID 154830176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).