2-bromo-7-methoxy-N-(1-methylpiperidin-4-yl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide

C17H19BrN4O2S — CID 170717265

IUPAC2-bromo-7-methoxy-N-(1-methylpiperidin-4-yl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
SMILESCOc1cc2c(cc1C(=O)NC1CCN(C)CC1)sc1nc(Br)cn12
InChIInChI=1S/C17H19BrN4O2S/c1-21-5-3-10(4-6-21)19-16(23)11-7-14-12(8-13(11)24-2)22-9-15(18)20-17(22)25-14/h7-10H,3-6H2,1-2H3,(H,19,23)
InChIKeySXFFLRNPVRLODU-UHFFFAOYSA-N
MW423.34 g/mol
LogP3.14
Rot. Bonds3

About 2-bromo-7-methoxy-N-(1-methylpiperidin-4-yl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide

2-bromo-7-methoxy-N-(1-methylpiperidin-4-yl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide (PubChem CID 170717265) has the molecular formula C17H19BrN4O2S and a molecular weight of 423.34 g/mol. Its IUPAC name is 2-bromo-7-methoxy-N-(1-methylpiperidin-4-yl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-bromo-7-methoxy-N-(1-methylpiperidin-4-yl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
PubChem CID170717265
Molecular FormulaC17H19BrN4O2S
Molecular Weight423.34 g/mol
Exact Mass422.04
IUPAC Name2-bromo-7-methoxy-N-(1-methylpiperidin-4-yl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
SMILESCOc1cc2c(cc1C(=O)NC1CCN(C)CC1)sc1nc(Br)cn12
InChIInChI=1S/C17H19BrN4O2S/c1-21-5-3-10(4-6-21)19-16(23)11-7-14-12(8-13(11)24-2)22-9-15(18)20-17(22)25-14/h7-10H,3-6H2,1-2H3,(H,19,23)
InChIKeySXFFLRNPVRLODU-UHFFFAOYSA-N
XLogP3.14
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-bromo-7-methoxy-N-(1-methylpiperidin-4-yl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-fluoro-4-pyrrolidin-3-ylphenyl)-7-methoxy-N-(1-methylpiperidin-4-yl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 170716959
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
tert-butyl 2-[3-fluoro-4-[7-methoxy-6-[[(3S)-1-methylpiperidin-3-yl]carbamoyl]imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl]pyrrolidine-1-carboxylate
CID 170717037
2-amino-3,5-dimethoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 115950482
N-(1-acetylpiperidin-4-yl)-4-bromo-2-methoxybenzamide
CID 78988011
4-amino-2-methoxy-5-methyl-N-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]benzamide
CID 20689433
5-(cyclohexylcarbamoyl)-2,4-dimethoxybenzoic acid
CID 131994752
4-hydroxy-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 110463703
5-bromo-2-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 65306983
2-bromo-4-methoxy-N-(1-methylpiperidin-4-yl)-1-benzofuran-6-carboxamide
CID 91958080
N-cyclooctyl-2,4,5-trimethoxybenzamide
CID 912719
2-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 110465347

Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-methoxy-N-(1-methylpiperidin-4-yl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
The IUPAC name of 2-bromo-7-methoxy-N-(1-methylpiperidin-4-yl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide (CID 170717265) is 2-bromo-7-methoxy-N-(1-methylpiperidin-4-yl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide.
What is the SMILES notation for 2-bromo-7-methoxy-N-(1-methylpiperidin-4-yl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
The canonical SMILES for 2-bromo-7-methoxy-N-(1-methylpiperidin-4-yl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide is COc1cc2c(cc1C(=O)NC1CCN(C)CC1)sc1nc(Br)cn12.
What is the InChIKey of 2-bromo-7-methoxy-N-(1-methylpiperidin-4-yl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
The InChIKey is SXFFLRNPVRLODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O2S/c1-21-5-3-10(4-6-21)19-16(23)11-7-14-12(8-13(11)24-2)22-9-15(18)20-17(22)25-14/h7-10H,3-6H2,1-2H3,(H,19,23).
What are the key properties of 2-bromo-7-methoxy-N-(1-methylpiperidin-4-yl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
2-bromo-7-methoxy-N-(1-methylpiperidin-4-yl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide has a molecular weight of 423.34 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-methoxy-N-(1-methylpiperidin-4-yl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide is sourced from PubChem (CID 170717265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).