N-butan-2-yl-2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide

C20H18FN3OS — CID 22523757

IUPACN-butan-2-yl-2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
SMILESCCC(C)NC(=O)c1ccc2c(c1)sc1nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C20H18FN3OS/c1-3-12(2)22-19(25)14-6-9-17-18(10-14)26-20-23-16(11-24(17)20)13-4-7-15(21)8-5-13/h4-12H,3H2,1-2H3,(H,22,25)
InChIKeyFBJMPVFXLAXUKV-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.88
Rot. Bonds4

About N-butan-2-yl-2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide

N-butan-2-yl-2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide (PubChem CID 22523757) has the molecular formula C20H18FN3OS and a molecular weight of 367.45 g/mol. Its IUPAC name is N-butan-2-yl-2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
PubChem CID22523757
Molecular FormulaC20H18FN3OS
Molecular Weight367.45 g/mol
Exact Mass367.12
IUPAC NameN-butan-2-yl-2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
SMILESCCC(C)NC(=O)c1ccc2c(c1)sc1nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C20H18FN3OS/c1-3-12(2)22-19(25)14-6-9-17-18(10-14)26-20-23-16(11-24(17)20)13-4-7-15(21)8-5-13/h4-12H,3H2,1-2H3,(H,22,25)
InChIKeyFBJMPVFXLAXUKV-UHFFFAOYSA-N
XLogP4.88
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-(4-ethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523809
2-(4-fluorophenyl)-N-(3-propylsulfanylpropyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523788
N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523573
N-ethyl-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523510
N-[(1R)-1-cyclopropylethyl]-2-[4-(methylcarbamoyl)phenyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 167163435
2-[4-(methylcarbamoyl)phenyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid
CID 164571923
[2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 22523749
2-(4-chlorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid
CID 20886950
4-[6-(5-hydroxy-3-methylpentanoyl)imidazo[2,1-b][1,3]benzothiazol-2-yl]-N-methylbenzamide
CID 167681354
2-(4-ethoxyphenyl)-N-(2-phenylpropyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523820
N-[(4-hydroxycyclohexyl)methyl]-2-[4-(methylcarbamoyl)phenyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 167163411
2-[4-(1-formamidobutyl)phenyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid
CID 170717544

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
The IUPAC name of N-butan-2-yl-2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide (CID 22523757) is N-butan-2-yl-2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
The canonical SMILES for N-butan-2-yl-2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide is CCC(C)NC(=O)c1ccc2c(c1)sc1nc(-c3ccc(F)cc3)cn12.
What is the InChIKey of N-butan-2-yl-2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
The InChIKey is FBJMPVFXLAXUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3OS/c1-3-12(2)22-19(25)14-6-9-17-18(10-14)26-20-23-16(11-24(17)20)13-4-7-15(21)8-5-13/h4-12H,3H2,1-2H3,(H,22,25).
What are the key properties of N-butan-2-yl-2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
N-butan-2-yl-2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide is sourced from PubChem (CID 22523757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).