(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl butanoate;hydrochloride

C11H15ClN2O2S — CID 23462411

IUPAC(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl butanoate;hydrochloride
SMILESCCCC(=O)OCc1cn2c(C)csc2n1.Cl
InChIInChI=1S/C11H14N2O2S.ClH/c1-3-4-10(14)15-6-9-5-13-8(2)7-16-11(13)12-9;/h5,7H,3-4,6H2,1-2H3;1H
InChIKeyMBSVBIWDDIEDNB-UHFFFAOYSA-N
MW274.77 g/mol
LogP2.97
Rot. Bonds4

About (3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl butanoate;hydrochloride

(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl butanoate;hydrochloride (PubChem CID 23462411) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is (3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl butanoate;hydrochloride.

Molecular Properties

Compound Name(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl butanoate;hydrochloride
PubChem CID23462411
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC Name(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl butanoate;hydrochloride
SMILESCCCC(=O)OCc1cn2c(C)csc2n1.Cl
InChIInChI=1S/C11H14N2O2S.ClH/c1-3-4-10(14)15-6-9-5-13-8(2)7-16-11(13)12-9;/h5,7H,3-4,6H2,1-2H3;1H
InChIKeyMBSVBIWDDIEDNB-UHFFFAOYSA-N
XLogP2.97
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl butanoate;hydrochloride?
The IUPAC name of (3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl butanoate;hydrochloride (CID 23462411) is (3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl butanoate;hydrochloride.
What is the SMILES notation for (3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl butanoate;hydrochloride?
The canonical SMILES for (3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl butanoate;hydrochloride is CCCC(=O)OCc1cn2c(C)csc2n1.Cl.
What is the InChIKey of (3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl butanoate;hydrochloride?
The InChIKey is MBSVBIWDDIEDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S.ClH/c1-3-4-10(14)15-6-9-5-13-8(2)7-16-11(13)12-9;/h5,7H,3-4,6H2,1-2H3;1H.
What are the key properties of (3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl butanoate;hydrochloride?
(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl butanoate;hydrochloride has a molecular weight of 274.77 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl butanoate;hydrochloride is sourced from PubChem (CID 23462411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).