cyclopropyl-(7-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)methanone

C14H12N2O2S — CID 14519703

IUPACcyclopropyl-(7-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)methanone
SMILESCOc1ccc2sc3nc(C(=O)C4CC4)cn3c2c1
InChIInChI=1S/C14H12N2O2S/c1-18-9-4-5-12-11(6-9)16-7-10(15-14(16)19-12)13(17)8-2-3-8/h4-8H,2-3H2,1H3
InChIKeyJWMDNGKNSDKEPB-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.15
Rot. Bonds3

About cyclopropyl-(7-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)methanone

cyclopropyl-(7-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)methanone (PubChem CID 14519703) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is cyclopropyl-(7-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(7-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)methanone
PubChem CID14519703
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Namecyclopropyl-(7-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)methanone
SMILESCOc1ccc2sc3nc(C(=O)C4CC4)cn3c2c1
InChIInChI=1S/C14H12N2O2S/c1-18-9-4-5-12-11(6-9)16-7-10(15-14(16)19-12)13(17)8-2-3-8/h4-8H,2-3H2,1H3
InChIKeyJWMDNGKNSDKEPB-UHFFFAOYSA-N
XLogP3.15
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(7-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)methanone?
The IUPAC name of cyclopropyl-(7-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)methanone (CID 14519703) is cyclopropyl-(7-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)methanone.
What is the SMILES notation for cyclopropyl-(7-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)methanone?
The canonical SMILES for cyclopropyl-(7-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)methanone is COc1ccc2sc3nc(C(=O)C4CC4)cn3c2c1.
What is the InChIKey of cyclopropyl-(7-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)methanone?
The InChIKey is JWMDNGKNSDKEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-18-9-4-5-12-11(6-9)16-7-10(15-14(16)19-12)13(17)8-2-3-8/h4-8H,2-3H2,1H3.
What are the key properties of cyclopropyl-(7-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)methanone?
cyclopropyl-(7-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)methanone has a molecular weight of 272.33 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(7-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)methanone is sourced from PubChem (CID 14519703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).