2-(2-methoxypropan-2-yl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole

C13H18N2OS — CID 114229311

IUPAC2-(2-methoxypropan-2-yl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
SMILESCOC(C)(C)c1cn2c3c(sc2n1)CCCC3
InChIInChI=1S/C13H18N2OS/c1-13(2,16-3)11-8-15-9-6-4-5-7-10(9)17-12(15)14-11/h8H,4-7H2,1-3H3
InChIKeyGUBVVFIKWHPHEV-UHFFFAOYSA-N
MW250.37 g/mol
LogP3.16
Rot. Bonds2

About 2-(2-methoxypropan-2-yl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole

2-(2-methoxypropan-2-yl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole (PubChem CID 114229311) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 2-(2-methoxypropan-2-yl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name2-(2-methoxypropan-2-yl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
PubChem CID114229311
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name2-(2-methoxypropan-2-yl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
SMILESCOC(C)(C)c1cn2c3c(sc2n1)CCCC3
InChIInChI=1S/C13H18N2OS/c1-13(2,16-3)11-8-15-9-6-4-5-7-10(9)17-12(15)14-11/h8H,4-7H2,1-3H3
InChIKeyGUBVVFIKWHPHEV-UHFFFAOYSA-N
XLogP3.16
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
CID 83085510
2-(2-bromophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
CID 115280231
2-(2-ethylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
CID 142736082
10-(5-ethylthiophen-2-yl)-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene
CID 83086221
2-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
CID 115280232
2-(1-benzofuran-2-yl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
CID 83091886
10-pyridin-3-yl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene
CID 83086528
2-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-amine
CID 82068840
10-(4-bromo-2-fluorophenyl)-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene
CID 83086628
10-(2-chloro-4-fluorophenyl)-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene
CID 83085616
11-methyl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene
CID 83086225
dimethyl 5-[(4-oxo-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]benzothiazole-3-carbonyl)amino]benzene-1,3-dicarboxylate
CID 17248468

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxypropan-2-yl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 2-(2-methoxypropan-2-yl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole (CID 114229311) is 2-(2-methoxypropan-2-yl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 2-(2-methoxypropan-2-yl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 2-(2-methoxypropan-2-yl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole is COC(C)(C)c1cn2c3c(sc2n1)CCCC3.
What is the InChIKey of 2-(2-methoxypropan-2-yl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole?
The InChIKey is GUBVVFIKWHPHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-13(2,16-3)11-8-15-9-6-4-5-7-10(9)17-12(15)14-11/h8H,4-7H2,1-3H3.
What are the key properties of 2-(2-methoxypropan-2-yl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole?
2-(2-methoxypropan-2-yl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole has a molecular weight of 250.37 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxypropan-2-yl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 114229311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).