N-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide

C19H13ClFN3OS — CID 134797152

IUPACN-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1nc2sccn2c1-c1ccc(F)cc1
InChIInChI=1S/C19H13ClFN3OS/c20-15-4-2-1-3-13(15)11-22-18(25)16-17(12-5-7-14(21)8-6-12)24-9-10-26-19(24)23-16/h1-10H,11H2,(H,22,25)
InChIKeyNUYBFZNGUCJSGH-UHFFFAOYSA-N
MW385.85 g/mol
LogP4.79
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide

N-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 134797152) has the molecular formula C19H13ClFN3OS and a molecular weight of 385.85 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID134797152
Molecular FormulaC19H13ClFN3OS
Molecular Weight385.85 g/mol
Exact Mass385.05
IUPAC NameN-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1nc2sccn2c1-c1ccc(F)cc1
InChIInChI=1S/C19H13ClFN3OS/c20-15-4-2-1-3-13(15)11-22-18(25)16-17(12-5-7-14(21)8-6-12)24-9-10-26-19(24)23-16/h1-10H,11H2,(H,22,25)
InChIKeyNUYBFZNGUCJSGH-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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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 134797152) is N-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide is O=C(NCc1ccccc1Cl)c1nc2sccn2c1-c1ccc(F)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is NUYBFZNGUCJSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN3OS/c20-15-4-2-1-3-13(15)11-22-18(25)16-17(12-5-7-14(21)8-6-12)24-9-10-26-19(24)23-16/h1-10H,11H2,(H,22,25).
What are the key properties of N-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-[(2-chlorophenyl)methyl]-5-(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-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 134797152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).