ethyl 6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazine-2-carboxylate

C9H12N2O2S — CID 18183087

IUPACethyl 6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazine-2-carboxylate
SMILESCCOC(=O)c1cn2c(n1)SCCC2
InChIInChI=1S/C9H12N2O2S/c1-2-13-8(12)7-6-11-4-3-5-14-9(11)10-7/h6H,2-5H2,1H3
InChIKeyPPWLZLNTPVSKLB-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.56
Rot. Bonds2

About ethyl 6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazine-2-carboxylate

ethyl 6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazine-2-carboxylate (PubChem CID 18183087) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is ethyl 6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazine-2-carboxylate
PubChem CID18183087
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Nameethyl 6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazine-2-carboxylate
SMILESCCOC(=O)c1cn2c(n1)SCCC2
InChIInChI=1S/C9H12N2O2S/c1-2-13-8(12)7-6-11-4-3-5-14-9(11)10-7/h6H,2-5H2,1H3
InChIKeyPPWLZLNTPVSKLB-UHFFFAOYSA-N
XLogP1.56
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazine-2-carboxylate?
The IUPAC name of ethyl 6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazine-2-carboxylate (CID 18183087) is ethyl 6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazine-2-carboxylate.
What is the SMILES notation for ethyl 6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazine-2-carboxylate?
The canonical SMILES for ethyl 6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazine-2-carboxylate is CCOC(=O)c1cn2c(n1)SCCC2.
What is the InChIKey of ethyl 6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazine-2-carboxylate?
The InChIKey is PPWLZLNTPVSKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-2-13-8(12)7-6-11-4-3-5-14-9(11)10-7/h6H,2-5H2,1H3.
What are the key properties of ethyl 6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazine-2-carboxylate?
ethyl 6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazine-2-carboxylate has a molecular weight of 212.27 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazine-2-carboxylate is sourced from PubChem (CID 18183087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).