4-(4-bromopyrazol-1-yl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]benzamide

C21H13BrFN5OS — CID 55668838

IUPAC4-(4-bromopyrazol-1-yl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]benzamide
SMILESO=C(Nc1c(-c2ccc(F)cc2)nc2sccn12)c1ccc(-n2cc(Br)cn2)cc1
InChIInChI=1S/C21H13BrFN5OS/c22-15-11-24-28(12-15)17-7-3-14(4-8-17)20(29)26-19-18(13-1-5-16(23)6-2-13)25-21-27(19)9-10-30-21/h1-12H,(H,26,29)
InChIKeyHWVBAVIOCHBQKC-UHFFFAOYSA-N
MW482.34 g/mol
LogP5.40
Rot. Bonds4

About 4-(4-bromopyrazol-1-yl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]benzamide

4-(4-bromopyrazol-1-yl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]benzamide (PubChem CID 55668838) has the molecular formula C21H13BrFN5OS and a molecular weight of 482.34 g/mol. Its IUPAC name is 4-(4-bromopyrazol-1-yl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]benzamide.

Molecular Properties

Compound Name4-(4-bromopyrazol-1-yl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]benzamide
PubChem CID55668838
Molecular FormulaC21H13BrFN5OS
Molecular Weight482.34 g/mol
Exact Mass481.00
IUPAC Name4-(4-bromopyrazol-1-yl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]benzamide
SMILESO=C(Nc1c(-c2ccc(F)cc2)nc2sccn12)c1ccc(-n2cc(Br)cn2)cc1
InChIInChI=1S/C21H13BrFN5OS/c22-15-11-24-28(12-15)17-7-3-14(4-8-17)20(29)26-19-18(13-1-5-16(23)6-2-13)25-21-27(19)9-10-30-21/h1-12H,(H,26,29)
InChIKeyHWVBAVIOCHBQKC-UHFFFAOYSA-N
XLogP5.40
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.34
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(4-bromopyrazol-1-yl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]benzamide 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

N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-methylpropanamide
CID 17415628
N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-methylbutanamide
CID 46511311
N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 41373345
1-(4-fluorobenzoyl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]piperidine-4-carboxamide
CID 55382648
4,5-dichloro-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-methylpyrrole-2-carboxamide
CID 55668837
3-ethyl-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 51199261
4-(4-bromopyrazol-1-yl)-N-(1-methylpyrazol-4-yl)benzamide
CID 32609396
4-(4-bromopyrazol-1-yl)-N-methylbenzamide
CID 47027650
4-(4-bromopyrazol-1-yl)-N-(4-methoxyphenyl)benzamide
CID 38761721
N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 46647075
2-(benzotriazol-1-yl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetamide
CID 51199258
(E)-3-(3-fluorophenyl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enamide
CID 55382604

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromopyrazol-1-yl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]benzamide?
The IUPAC name of 4-(4-bromopyrazol-1-yl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]benzamide (CID 55668838) is 4-(4-bromopyrazol-1-yl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]benzamide.
What is the SMILES notation for 4-(4-bromopyrazol-1-yl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]benzamide?
The canonical SMILES for 4-(4-bromopyrazol-1-yl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]benzamide is O=C(Nc1c(-c2ccc(F)cc2)nc2sccn12)c1ccc(-n2cc(Br)cn2)cc1.
What is the InChIKey of 4-(4-bromopyrazol-1-yl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]benzamide?
The InChIKey is HWVBAVIOCHBQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13BrFN5OS/c22-15-11-24-28(12-15)17-7-3-14(4-8-17)20(29)26-19-18(13-1-5-16(23)6-2-13)25-21-27(19)9-10-30-21/h1-12H,(H,26,29).
What are the key properties of 4-(4-bromopyrazol-1-yl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]benzamide?
4-(4-bromopyrazol-1-yl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]benzamide has a molecular weight of 482.34 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromopyrazol-1-yl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]benzamide is sourced from PubChem (CID 55668838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).