[3-(1,3-benzothiazol-2-ylmethoxy)azetidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone

C17H17N3O2S2 — CID 164784883

IUPAC[3-(1,3-benzothiazol-2-ylmethoxy)azetidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(C)c(C(=O)N2CC(OCc3nc4ccccc4s3)C2)s1
InChIInChI=1S/C17H17N3O2S2/c1-10-16(23-11(2)18-10)17(21)20-7-12(8-20)22-9-15-19-13-5-3-4-6-14(13)24-15/h3-6,12H,7-9H2,1-2H3
InChIKeyNGQJJSNPIQHFGK-UHFFFAOYSA-N
MW359.48 g/mol
LogP3.41
Rot. Bonds4

About [3-(1,3-benzothiazol-2-ylmethoxy)azetidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone

[3-(1,3-benzothiazol-2-ylmethoxy)azetidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone (PubChem CID 164784883) has the molecular formula C17H17N3O2S2 and a molecular weight of 359.48 g/mol. Its IUPAC name is [3-(1,3-benzothiazol-2-ylmethoxy)azetidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(1,3-benzothiazol-2-ylmethoxy)azetidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
PubChem CID164784883
Molecular FormulaC17H17N3O2S2
Molecular Weight359.48 g/mol
Exact Mass359.08
IUPAC Name[3-(1,3-benzothiazol-2-ylmethoxy)azetidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(C)c(C(=O)N2CC(OCc3nc4ccccc4s3)C2)s1
InChIInChI=1S/C17H17N3O2S2/c1-10-16(23-11(2)18-10)17(21)20-7-12(8-20)22-9-15-19-13-5-3-4-6-14(13)24-15/h3-6,12H,7-9H2,1-2H3
InChIKeyNGQJJSNPIQHFGK-UHFFFAOYSA-N
XLogP3.41
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(1,3-benzothiazol-2-ylmethoxy)azetidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [3-(1,3-benzothiazol-2-ylmethoxy)azetidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone (CID 164784883) is [3-(1,3-benzothiazol-2-ylmethoxy)azetidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [3-(1,3-benzothiazol-2-ylmethoxy)azetidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [3-(1,3-benzothiazol-2-ylmethoxy)azetidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone is Cc1nc(C)c(C(=O)N2CC(OCc3nc4ccccc4s3)C2)s1.
What is the InChIKey of [3-(1,3-benzothiazol-2-ylmethoxy)azetidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone?
The InChIKey is NGQJJSNPIQHFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S2/c1-10-16(23-11(2)18-10)17(21)20-7-12(8-20)22-9-15-19-13-5-3-4-6-14(13)24-15/h3-6,12H,7-9H2,1-2H3.
What are the key properties of [3-(1,3-benzothiazol-2-ylmethoxy)azetidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone?
[3-(1,3-benzothiazol-2-ylmethoxy)azetidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone has a molecular weight of 359.48 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,3-benzothiazol-2-ylmethoxy)azetidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 164784883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).