N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide

C19H13ClFN3OS — CID 134798362

IUPACN-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cn2cc(-c3ccc(F)cc3)sc2n1
InChIInChI=1S/C19H13ClFN3OS/c20-14-5-1-12(2-6-14)9-22-18(25)16-10-24-11-17(26-19(24)23-16)13-3-7-15(21)8-4-13/h1-8,10-11H,9H2,(H,22,25)
InChIKeyHSQKXBHDKBTJJC-UHFFFAOYSA-N
MW385.85 g/mol
LogP4.79
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide

N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 134798362) has the molecular formula C19H13ClFN3OS and a molecular weight of 385.85 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID134798362
Molecular FormulaC19H13ClFN3OS
Molecular Weight385.85 g/mol
Exact Mass385.05
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cn2cc(-c3ccc(F)cc3)sc2n1
InChIInChI=1S/C19H13ClFN3OS/c20-14-5-1-12(2-6-14)9-22-18(25)16-10-24-11-17(26-19(24)23-16)13-3-7-15(21)8-4-13/h1-8,10-11H,9H2,(H,22,25)
InChIKeyHSQKXBHDKBTJJC-UHFFFAOYSA-N
XLogP4.79
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]butyl]-5-methylimidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 155564667
N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-phenylethanamine
CID 142505357
2-(4-chlorophenyl)-N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 142505364
N-[2-(3-Chlorophenyl)ethyl]-3-(4-Methylphenyl)imidazo[2,1-B][1,3]thiazole-5-Carboxamide
CID 118716433
(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 2312959
6-(4-fluorophenyl)-3-methyl-N-(pyridin-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 3237288
6-(4-fluorophenyl)-3-methyl-N-(pyridin-3-ylmethyl)imidazo[2,1-b]thiazole-2-carboxamide
CID 5309991
2-(6-(4-chlorophenyl)imidazo[2,1-b]thiazol-3-yl)-N-(3-(diethylamino)propyl)acetamide
CID 7522241
2-Benzyl-6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole
CID 15991404
6-(4-Chlorophenyl)-2-(2-fluorobenzyl)imidazo[2,1-b][1,3]thiazole
CID 15991405
6-(4-Chlorophenyl)-2-(4-fluorobenzyl)imidazo[2,1-b][1,3]thiazole
CID 15991406
2-(4-Chlorobenzyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole
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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 134798362) is N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide is O=C(NCc1ccc(Cl)cc1)c1cn2cc(-c3ccc(F)cc3)sc2n1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is HSQKXBHDKBTJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN3OS/c20-14-5-1-12(2-6-14)9-22-18(25)16-10-24-11-17(26-19(24)23-16)13-3-7-15(21)8-4-13/h1-8,10-11H,9H2,(H,22,25).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 385.85 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 134798362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).