2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole;hydrochloride

C10H13ClN2S — CID 139740863

IUPAC2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole;hydrochloride
SMILESCc1cn2c3c(sc2n1)CCCC3.Cl
InChIInChI=1S/C10H12N2S.ClH/c1-7-6-12-8-4-2-3-5-9(8)13-10(12)11-7;/h6H,2-5H2,1H3;1H
InChIKeyVNVHPWSYESWUKN-UHFFFAOYSA-N
MW228.75 g/mol
LogP3.00
Rot. Bonds

About 2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole;hydrochloride

2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole;hydrochloride (PubChem CID 139740863) has the molecular formula C10H13ClN2S and a molecular weight of 228.75 g/mol. Its IUPAC name is 2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole;hydrochloride.

Molecular Properties

Compound Name2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole;hydrochloride
PubChem CID139740863
Molecular FormulaC10H13ClN2S
Molecular Weight228.75 g/mol
Exact Mass228.05
IUPAC Name2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole;hydrochloride
SMILESCc1cn2c3c(sc2n1)CCCC3.Cl
InChIInChI=1S/C10H12N2S.ClH/c1-7-6-12-8-4-2-3-5-9(8)13-10(12)11-7;/h6H,2-5H2,1H3;1H
InChIKeyVNVHPWSYESWUKN-UHFFFAOYSA-N
XLogP3.00
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.75
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole;hydrochloride?
The IUPAC name of 2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole;hydrochloride (CID 139740863) is 2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole;hydrochloride.
What is the SMILES notation for 2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole;hydrochloride?
The canonical SMILES for 2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole;hydrochloride is Cc1cn2c3c(sc2n1)CCCC3.Cl.
What is the InChIKey of 2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole;hydrochloride?
The InChIKey is VNVHPWSYESWUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S.ClH/c1-7-6-12-8-4-2-3-5-9(8)13-10(12)11-7;/h6H,2-5H2,1H3;1H.
What are the key properties of 2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole;hydrochloride?
2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole;hydrochloride has a molecular weight of 228.75 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole;hydrochloride is sourced from PubChem (CID 139740863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).