2-methyl-6-pyrrolidin-2-ylimidazo[2,1-b][1,3]benzothiazole

C14H15N3S — CID 116999668

IUPAC2-methyl-6-pyrrolidin-2-ylimidazo[2,1-b][1,3]benzothiazole
SMILESCc1cn2c(n1)sc1cc(C3CCCN3)ccc12
InChIInChI=1S/C14H15N3S/c1-9-8-17-12-5-4-10(11-3-2-6-15-11)7-13(12)18-14(17)16-9/h4-5,7-8,11,15H,2-3,6H2,1H3
InChIKeyKPZALEMVBPIIFR-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.28
Rot. Bonds1

About 2-methyl-6-pyrrolidin-2-ylimidazo[2,1-b][1,3]benzothiazole

2-methyl-6-pyrrolidin-2-ylimidazo[2,1-b][1,3]benzothiazole (PubChem CID 116999668) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is 2-methyl-6-pyrrolidin-2-ylimidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name2-methyl-6-pyrrolidin-2-ylimidazo[2,1-b][1,3]benzothiazole
PubChem CID116999668
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC Name2-methyl-6-pyrrolidin-2-ylimidazo[2,1-b][1,3]benzothiazole
SMILESCc1cn2c(n1)sc1cc(C3CCCN3)ccc12
InChIInChI=1S/C14H15N3S/c1-9-8-17-12-5-4-10(11-3-2-6-15-11)7-13(12)18-14(17)16-9/h4-5,7-8,11,15H,2-3,6H2,1H3
InChIKeyKPZALEMVBPIIFR-UHFFFAOYSA-N
XLogP3.28
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[2,6-dimethyl-4-[(2R)-pyrrolidin-2-yl]phenyl]imidazo[2,1-b][1,3]benzothiazol-6-yl]-5-(4-fluoropiperidin-1-yl)pentan-1-one
CID 167577105
5-(4-fluoropiperidin-1-yl)-1-[2-[2-fluoro-5-[(2R)-pyrrolidin-2-yl]phenyl]imidazo[2,1-b][1,3]benzothiazol-6-yl]pentan-1-one
CID 167647049
N-[2-(2-fluoro-4-pyrrolidin-2-ylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]oxane-4-carboxamide;hydrochloride
CID 170717505
1-cyclopropyl-2-methyl-5-pyrrolidin-2-ylbenzimidazole
CID 82497189
2-ethyl-6-pyrrolidin-2-yl-1,3-benzothiazole
CID 84696097
5-(4-fluoropiperidin-1-yl)-1-[2-[2-fluoro-4-[(2S)-piperidin-2-yl]phenyl]imidazo[2,1-b][1,3]benzothiazol-6-yl]pentan-1-one
CID 167618550
2-methyl-5-pyrrolidin-2-ylpyridine;dihydrochloride
CID 170920850
2-methyl-4-pyrrolidin-2-ylpyridine;dihydrochloride
CID 155487324
N-[3-(6-fluoro-3-azabicyclo[3.1.1]heptan-3-yl)propyl]-2-[2-fluoro-4-[(2R)-pyrrolidin-2-yl]phenyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 166039347
2-[2-fluoro-4-[(2S)-pyrrolidin-2-yl]phenyl]-7-methoxy-N-(1-methylpiperidin-4-yl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide;dihydrochloride
CID 170717250
(2R)-2-(4-methylphenyl)pyrrolidine
CID 7047871
2-methyl-4-[(2S)-pyrrolidin-2-yl]benzonitrile
CID 66518349

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-pyrrolidin-2-ylimidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 2-methyl-6-pyrrolidin-2-ylimidazo[2,1-b][1,3]benzothiazole (CID 116999668) is 2-methyl-6-pyrrolidin-2-ylimidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 2-methyl-6-pyrrolidin-2-ylimidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 2-methyl-6-pyrrolidin-2-ylimidazo[2,1-b][1,3]benzothiazole is Cc1cn2c(n1)sc1cc(C3CCCN3)ccc12.
What is the InChIKey of 2-methyl-6-pyrrolidin-2-ylimidazo[2,1-b][1,3]benzothiazole?
The InChIKey is KPZALEMVBPIIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c1-9-8-17-12-5-4-10(11-3-2-6-15-11)7-13(12)18-14(17)16-9/h4-5,7-8,11,15H,2-3,6H2,1H3.
What are the key properties of 2-methyl-6-pyrrolidin-2-ylimidazo[2,1-b][1,3]benzothiazole?
2-methyl-6-pyrrolidin-2-ylimidazo[2,1-b][1,3]benzothiazole has a molecular weight of 257.36 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-pyrrolidin-2-ylimidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 116999668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).